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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 38201 |  U8B |
6 | C22 H29 N5 O9 S2 | InChI=1S/C22H29N5O9S2/c23 -13(18(33)34)6-7-15(29)25 -14(17(32)24-9-16(30)31)1 0-38-22(8-12-4-2-1-3-5-12 )20(36)26-21(37,11-28)19( 35)27-22/h1-5,13-14,28,37 H,6-11,23H2,(H,24,32)(H,2 5,29)(H,26,36)(H,27,35)(H ,30,31)(H,33,34)/t13-,14- ,21+,22+/m0/s1; BVLPJUGYSWKCGB-HCIHMXRSSA-N |
c1ccc(cc1)C[C@]2(C(=O)N[C@](C(=O)N2)(CO) S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H]( C(=O)O)N; N[CH](CCC(=O)N[CH](CS[C]1(Cc2c cccc2)NC(=O)[C](S)(CO)NC1=O)C(=O)NCC(O)= O)C(O)=O; c1ccc(cc1)CC2(C(=O)NC(C(=O)N2) (CO)S)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O )N; N[C@@H](CCC(=O)N[C@@H](CS[C@@]1(Cc2c cccc2)NC(=O)[C@](S)(CO)NC1=O)C(=O)NCC(O) =O)C(O)=O |
(2~{S})-2-azanyl-5-[[(2~{R})-3-[(2~{R},5~{R})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
| 38202 |  U8C |
1 | C37 H45 N O8 S | InChI=1S/C37H45NO8S/c1-43 -31-19-17-25(22-32(31)44- 2)16-18-30(27-12-8-13-28( 23-27)45-24-34(39)40)46-3 7(42)29-14-6-7-20-38(29)3 6(41)35(33-15-9-21-47-33) 26-10-4-3-5-11-26/h8-9,12 -13,15,17,19,21-23,26,29- 30,35H,3-7,10-11,14,16,18 ,20,24H2,1-2H3,(H,39,40)/ t29-,30+,35+/m0/s1; YHWSKQSORLKYDT-CMKKOEAFSA-N |
COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O )OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](c4cccs4) C5CCCCC5; COc1ccc(CC[CH](OC(=O)[CH]2CCCC N2C(=O)[CH](C3CCCCC3)c4sccc4)c5cccc(OCC( O)=O)c5)cc1OC; COc1ccc(CC[C@@H](OC(=O)[C @@H]2CCCCN2C(=O)[C@H](C3CCCCC3)c4sccc4)c 5cccc(OCC(O)=O)c5)cc1OC; COc1ccc(cc1OC)C CC(c2cccc(c2)OCC(=O)O)OC(=O)C3CCCCN3C(=O )C(c4cccs4)C5CCCCC5 |
2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-thiophen-2-yl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
| 38203 |  U8D CHEMBL146186 ZINC000001543374 |
4 | C22 H27 N2 O5 P | InChI=1S/C22H27N2O5P/c1-2 -20-19(14-22(23)25)18-13- 17(29-11-6-12-30(26,27)28 )9-10-21(18)24(20)15-16-7 -4-3-5-8-16/h3-5,7-10,13H ,2,6,11-12,14-15H2,1H3,(H 2,23,25)(H2,26,27,28); OPWQYOUZRHDKBR-UHFFFAOYSA-N |
CCc1n(Cc2ccccc2)c3ccc(OCCC[P](O)(O)=O)cc 3c1CC(N)=O; CCc1c(c2cc(ccc2n1Cc3ccccc3)O CCCP(=O)(O)O)CC(=O)N; O=P(O)(O)CCCOc1cc2 c(cc1)n(c(c2CC(=O)N)CC)Cc3ccccc3 |
(3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid |
| 38204 |  U8E |
1 | C23 H19 F2 N3 O3 | InChI=1S/C23H19F2N3O3/c1- 30-16-8-4-13(5-9-16)18-12 -19-21(20(27-26-19)14-2-3 -14)28(22(18)29)15-6-10-1 7(11-7-15)31-23(24)25/h4- 12,14,23H,2-3H2,1H3,(H,26 ,27); JTWWXAUUAZCEKL-UHFFFAOYSA-N |
COc1ccc(cc1)C2=Cc3n[nH]c(C4CC4)c3N(C2=O) c5ccc(OC(F)F)cc5; COc1ccc(cc1)C2=Cc3c(c( [nH]n3)C4CC4)N(C2=O)c5ccc(cc5)OC(F)F |
4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one |
| 38205 |  U8G |
0 | C14 H23 N3 O4 Rh | InChI=1S/C14H23N3O4.Rh/c1 -14(2,3)21-13(19)15-11(12 (18)20-6)7-10-8-16(4)9-17 (10)5;/h8,11H,7H2,1-6H3,( H,15,19);; UQXOBHGZUZGMJH-UHFFFAOYSA-N |
c1([Rh])n(C)c(c[n+]1C)CC(C(OC)=O)NC(OC(C )(C)C)=O; CC(C)(C)OC(=O)NC(CC1=C[N](=C(N 1C)[Rh])C)C(=O)OC; COC(=O)C(Cc1c[n](C)c( [Rh])n1C)NC(=O)OC(C)(C)C |
(4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium |
| 38206 |  U8H |
1 | C11 H11 N3 O S2 | InChI=1S/C11H11N3OS2/c1-1 5-8-4-2-7(3-5-8)6-9-10(16 )12-11(17)14-13-9/h2-5H,6 H2,1H3,(H2,12,14,16,17); DLNZPTRAPJQNLR-UHFFFAOYSA-N |
COc1ccc(cc1)CC1=NNC(=S)NC1=S; COc1ccc(CC 2=NNC(=S)NC2=S)cc1; COc1ccc(cc1)CC2=NNC( =S)NC2=S |
6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione |
| 38207 |  U8I |
2 | C20 H20 N4 O2 | InChI=1S/C20H20N4O2/c1-2- 17-16(18(21)24-20(22)23-1 7)11-12-4-3-5-15(10-12)13 -6-8-14(9-7-13)19(25)26/h 3-10H,2,11H2,1H3,(H,25,26 )(H4,21,22,23,24); HYEFEHCIXMVHSP-UHFFFAOYSA-N |
CCc1c(c(nc(n1)N)N)Cc2cccc(c2)c3ccc(cc3)C (=O)O; CCc1nc(N)nc(N)c1Cc2cccc(c2)c3ccc( cc3)C(O)=O |
4-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid |
| 38208 |  U8J |
1 | C20 H21 N7 O | InChI=1S/C20H21N7O/c1-3-1 0-27-12-14(11-23-27)17-16 -8-9-22-18(16)26-20(25-17 )24-15-6-4-13(5-7-15)19(2 8)21-2/h4-9,11-12H,3,10H2 ,1-2H3,(H,21,28)(H2,22,24 ,25,26); FLBLXKNWKAGVEB-UHFFFAOYSA-N |
c1(ccc(C(=O)NC)cc1)Nc2nc(c3c(n2)ncc3)c4c n(CCC)nc4; CCCn1cc(cn1)c2nc(Nc3ccc(cc3)C (=O)NC)nc4[nH]ccc24; CCCn1cc(cn1)c2c3cc[ nH]c3nc(n2)Nc4ccc(cc4)C(=O)NC |
N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide |
| 38209 |  U8K |
1 | C12 H10 N2 O4 S | InChI=1S/C12H10N2O4S/c15- 12(16)11-10(7-4-8-13-11)1 4-19(17,18)9-5-2-1-3-6-9/ h1-8,14H,(H,15,16); HOBWUTFQJLTDSS-UHFFFAOYSA-N |
OC(=O)c1ncccc1N[S](=O)(=O)c2ccccc2; c1cc c(cc1)S(=O)(=O)Nc2cccnc2C(=O)O |
3-(phenylsulfonylamino)pyridine-2-carboxylic acid |
| 38210 |  U8L |
1 | C30 H23 N O5 | InChI=1S/C30H23NO5/c1-17- 15-25(36-2)18-9-5-3-4-6-1 2-22(26(17)21(18)16-32)31 -23-13-14-24(33)28-27(23) 29(34)19-10-7-8-11-20(19) 30(28)35/h7-8,10-11,13-16 ,18,21-22,31,33H,3-4H2,1- 2H3/t18-,21-,22-/m0/s1; NLNOIBOHBHXKKN-NYVOZVTQSA-N |
CC1=C2[C@H](C#CCCC#C[C@@H]([C@@H]2C=O)C( =C1)OC)Nc3ccc(c4c3C(=O)c5ccccc5C4=O)O; C OC1=CC(=C2[CH](Nc3ccc(O)c4C(=O)c5ccccc5C (=O)c34)C#CCCC#C[CH]1[CH]2C=O)C; COC1=CC (=C2[C@@H](Nc3ccc(O)c4C(=O)c5ccccc5C(=O) c34)C#CCCC#C[C@H]1[C@@H]2C=O)C; CC1=C2C( C#CCCC#CC(C2C=O)C(=C1)OC)Nc3ccc(c4c3C(=O )c5ccccc5C4=O)O; Oc1ccc(NC2C#CCCC#CC3C(= CC(C)=C2C3C=O)OC)c2c1C(=O)c1ccccc1C2=O |
(1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde |
| 38211 |  U8M |
0 | C11 H9 F2 N5 | InChI=1S/C11H9F2N5/c12-6- 2-1-3-7(10(6)13)17-18-8-4 -5-9(14)16-11(8)15/h1-5H, (H4,14,15,16); KBEPGXDKUHLALK-UHFFFAOYSA-N |
c1cc(c(c(c1)F)F)N=Nc2ccc(nc2N)N; Nc1ccc( N=Nc2cccc(F)c2F)c(N)n1; n1c(ccc(c1N)/N=N \c2cccc(F)c2F)N |
3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine |
| 38212 |  U8N ZINC000100038324 |
1 | C9 H7 N O2 | InChI=1S/C9H7NO2/c11-8-5- 10-9(12)7-4-2-1-3-6(7)8/h 1-5,11H,(H,10,12); KOJRWXLHYKLCFJ-UHFFFAOYSA-N |
c1ccc2c(c1)C(=CNC2=O)O; OC1=CNC(=O)c2ccc cc12 |
4-oxidanyl-2~{H}-isoquinolin-1-one |
| 38213 |  U8O |
2 | C6 H5 N3 S | InChI=1S/C6H5N3S/c7-5-4-2 -1-3-8-6(4)10-9-5/h1-3H,( H2,7,9); NVOYVQKFZVOHPB-UHFFFAOYSA-N |
Nc1nsc2ncccc12; c1cc2c(nsc2nc1)N | [1,2]thiazolo[5,4-b]pyridin-3-amine |
| 38214 |  U8P |
1 | C27 H30 N8 O4 S | InChI=1S/C27H30N8O4S/c1-5 -40(37,38)34-16-27(17-34, 11-12-28)35-15-19(14-30-3 5)22-21-10-13-29-23(21)33 -25(32-22)31-20-8-6-18(7- 9-20)24(36)39-26(2,3)4/h6 -10,13-15H,5,11,16-17H2,1 -4H3,(H2,29,31,32,33); XPNMPGAYHLKXMY-UHFFFAOYSA-N |
CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc [nH]c4nc(n3)Nc5ccc(cc5)C(=O)OC(C)(C)C; c 4c(c2nc(Nc1ccc(C(=O)OC(C)(C)C)cc1)nc3ncc c23)cnn4C5(CN(C5)S(CC)(=O)=O)CC#N; CC[S] (=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3nc(Nc4c cc(cc4)C(=O)OC(C)(C)C)nc5[nH]ccc35 |
tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate |
| 38215 |  U8Q CHEMBL2262191 ZINC000002579331 |
18 | C12 H14 F3 N O | InChI=1S/C12H14F3NO/c13-1 2(14,15)9-1-3-10(4-2-9)17 -11-5-7-16-8-6-11/h1-4,11 ,16H,5-8H2; HRYZQEDCGWRROX-UHFFFAOYSA-N |
FC(F)(F)c1ccc(OC2CCNCC2)cc1; c1cc(ccc1C( F)(F)F)OC2CCNCC2 |
4-[4-(trifluoromethyl)phenoxy]piperidine |
| 38216 |  U8R |
1 | C16 H13 F2 N3 O2 | InChI=1S/C16H13F2N3O2/c17 -16(18)23-11-5-3-10(4-6-1 1)21-13(22)8-7-12-15(21)1 4(20-19-12)9-1-2-9/h3-9,1 6H,1-2H2,(H,19,20); DBMHKPKFMPEIGT-UHFFFAOYSA-N |
c1cc(ccc1N2c3c(n[nH]c3C4CC4)C=CC2=O)OC(F )F; FC(F)Oc1ccc(cc1)N2C(=O)C=Cc3n[nH]c(C 4CC4)c23 |
4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one |
| 38217 |  U8S |
0 | C6 H11 N3 O3 | InChI=1S/C6H11N3O3/c7-4(5 (10)11)1-3-2-8-6(12)9-3/h 2,4,6,8-9,12H,1,7H2,(H,10 ,11)/t4-,6-/m0/s1; ISUKCUVQJCXRKC-NJGYIYPDSA-N |
N[C@@H](CC1=CN[C@H](O)N1)C(O)=O; C1=C(N[ C@H](N1)O)C[C@@H](C(=O)O)N; C1=C(NC(N1)O )CC(C(=O)O)N; NC(CC1=CNC(O)N1)C(=O)O; N[ CH](CC1=CN[CH](O)N1)C(O)=O |
3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine |
| 38218 |  U8T ZINC000002563899 |
14 | C13 H14 Br N O2 | InChI=1S/C13H14BrNO2/c14- 9-1-2-12-10(7-9)11(16)8-1 3(17-12)3-5-15-6-4-13/h1- 2,7,15H,3-6,8H2; HTOKNOIQHUEHNB-UHFFFAOYSA-N |
c1cc2c(cc1Br)C(=O)CC3(O2)CCNCC3; Brc1ccc 2OC3(CCNCC3)CC(=O)c2c1 |
6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one |
| 38219 |  U8U |
0 | C11 H18 N3 O8 P S | InChI=1S/C11H18N3O8PS/c1- 12-2-5-3-14(11(24)13-9(5) 17)10-8(16)7(15)6(22-10)4 -21-23(18,19)20/h3,6-8,10 ,12,15-16H,2,4H2,1H3,(H,1 3,17,24)(H2,18,19,20)/t6- ,7-,8-,10-/m1/s1; LVNQROXSHGRCLA-FDDDBJFASA-N |
CNCC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]( [C@H](O2)COP(=O)(O)O)O)O; CNCC1=CN([CH]2 O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=S)N C1=O; CNCC1=CN([C@@H]2O[C@H](CO[P](O)(O) =O)[C@@H](O)[C@H]2O)C(=S)NC1=O; O=C1NC(= S)N(C=C1CNC)C2OC(C(O)C2O)COP(=O)(O)O; CN CC1=CN(C(=S)NC1=O)C2C(C(C(O2)COP(=O)(O)O )O)O |
5-METHYLAMINOMETHYL-2-THIOURIDINE-5'-MONOPHOSPHATE |
| 38220 |  U8V |
3 | C10 H18 O7 | InChI=1S/C10H18O7/c1-2-3- 6(11)16-4-5-7(12)8(13)9(1 4)10(15)17-5/h5,7-10,12-1 5H,2-4H2,1H3/t5-,7-,8+,9- ,10+/m1/s1; ZRXPGZBHTLDSIT-HOQQJHGQSA-N |
CCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH ]1O; CCCC(=O)OCC1C(C(C(C(O1)O)O)O)O; CCC C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O 1)O)O)O)O; OC1C(C(O)C(O)C(COC(=O)CCC)O1) O; CCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@ H](O)[C@@H]1O |
6-O-butanoyl-alpha-D-glucopyranose |
| 38221 |  U8W |
2 | C6 H15 O11 P S | InChI=1S/C6H15O11PS/c7-3( 1-17-18(11,12)13)5(9)6(10 )4(8)2-19(14,15)16/h3-10H ,1-2H2,(H2,11,12,13)(H,14 ,15,16)/t3-,4+,5+,6+/m0/s 1; VHZSENSKSCIIQU-SLPGGIOYSA-N |
O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O )C[S](O)(=O)=O; C([C@H]([C@H]([C@@H](C(C OP(=O)(O)O)O)O)O)O)S(=O)(=O)O; O[C@@H](C O[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)C[ S](O)(=O)=O; C(C(C(C(C(CS(=O)(=O)O)O)O)O )O)OP(=O)(O)O |
(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid |
| 38222 |  U8X |
1 | C11 H11 N3 O2 | InChI=1S/C11H11N3O2/c15-1 0-4-2-9(3-5-10)13-11(16)8 -14-7-1-6-12-14/h1-7,15H, 8H2,(H,13,16); BSUVSWPKCMWXTE-UHFFFAOYSA-N |
c1cnn(c1)CC(=O)Nc2ccc(cc2)O; Oc1ccc(NC(= O)Cn2cccn2)cc1 |
~{N}-(4-hydroxyphenyl)-2-pyrazol-1-yl-ethanamide |
| 38223 |  U8Y |
2 | C20 H20 N4 O2 | InChI=1S/C20H20N4O2/c1-2- 17-16(18(21)24-20(22)23-1 7)10-12-5-3-6-13(9-12)14- 7-4-8-15(11-14)19(25)26/h 3-9,11H,2,10H2,1H3,(H,25, 26)(H4,21,22,23,24); KNRZVDGLNIKBGJ-UHFFFAOYSA-N |
CCc1nc(N)nc(N)c1Cc2cccc(c2)c3cccc(c3)C(O )=O; CCc1c(c(nc(n1)N)N)Cc2cccc(c2)c3cccc (c3)C(=O)O |
3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid |
| 38224 |  U8Z |
2 | C3 H7 O6 P | InChI=1S/C3H7O6P/c4-1-3(5 )2-9-10(6,7)8/h2,4-5H,1H2 ,(H2,6,7,8)/b3-2+; MCQBMKDEIFHCJL-NSCUHMNNSA-N |
OC\C(O)=C/O[P](O)(O)=O; C(C(=COP(=O)(O)O )O)O; C(/C(=C\OP(=O)(O)O)/O)O; OCC(O)=CO [P](O)(O)=O |
[(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate |
| 38225 |  U90 |
4 | C7 H14 O6 | InChI=1S/C7H14O6/c1-12-6- 4(9)3(2-8)13-7(11)5(6)10/ h3-11H,2H2,1H3/t3-,4-,5+, 6+,7+/m1/s1; SCBBSJMAPKXHAH-VEIUFWFVSA-N |
OC1C(OC)C(O)C(CO)OC1O; COC1C(C(OC(C1O)O) CO)O; CO[C@H]1[C@@H]([C@H](O[C@@H]([C@H] 1O)O)CO)O; CO[C@@H]1[C@H](O)[C@@H](O)O[C @H](CO)[C@H]1O; CO[CH]1[CH](O)[CH](O)O[C H](CO)[CH]1O |
3-O-methyl-alpha-D-mannopyranose |
| 38226 |  U91 CHEMBL4088968 ZINC000584905716 |
1 | C18 H13 F4 N3 O2 | InChI=1S/C18H13F4N3O2/c1- 8-10(18(27)24-25(8)2)17(2 6)23-16-14(21)12(19)11(13 (20)15(16)22)9-6-4-3-5-7- 9/h3-7H,1-2H3,(H,23,26)(H ,24,27); YELPXAASZKFOBT-UHFFFAOYSA-N |
Cc1c(c(nn1C)O)C(=O)Nc2c(c(c(c(c2F)F)c3cc ccc3)F)F; Cn1nc(O)c(c1C)C(=O)Nc2c(F)c(F) c(c(F)c2F)c3ccccc3 |
1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide |
| 38227 |  U93 |
2 | C17 H30 N4 O12 P2 | InChI=1S/C17H30N4O12P2/c1 -10-15(23)14(11(6-20-10)8 -32-34(26,27)28)16(19-5-3 -2-4-12(18)7-22)21-13(17( 24)25)9-33-35(29,30)31/h6 -7,12-13,16,19,21,23H,2-5 ,8-9,18H2,1H3,(H,24,25)(H 2,26,27,28)(H2,29,30,31)/ t12-,13-,16+/m0/s1; DIDMOBOUHGSDIF-HEHGZKQESA-N |
Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N) C=O)N[CH](CO[P](O)(O)=O)C(O)=O)c1O; Cc1c (c(c(cn1)COP(=O)(O)O)C(NCCCCC(C=O)N)NC(C OP(=O)(O)O)C(=O)O)O; Cc1c(c(c(cn1)COP(=O )(O)O)[C@H](NCCCC[C@@H](C=O)N)N[C@@H](CO P(=O)(O)O)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O )c([C@H](NCCCC[C@H](N)C=O)N[C@@H](CO[P]( O)(O)=O)C(O)=O)c1O |
(2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid |
| 38228 |  U94 CHEMBL1738913 ZINC000066166106 |
10 | C20 H21 Cl2 N O6 | InChI=1S/C20H21Cl2NO6/c1- 29-10-17(24)23-16(18(25)1 9(26)20(27)28)6-11-2-4-12 (5-3-11)13-7-14(21)9-15(2 2)8-13/h2-5,7-9,16,18-19, 25-26H,6,10H2,1H3,(H,23,2 4)(H,27,28)/t16-,18-,19+/ m0/s1; NTCBTNCWNRCBGX-YTQUADARSA-N |
Clc2cc(c1ccc(cc1)CC(NC(=O)COC)C(O)C(O)C( =O)O)cc(Cl)c2; COCC(=O)NC(Cc1ccc(cc1)c2c c(cc(c2)Cl)Cl)C(C(C(=O)O)O)O; COCC(=O)N[ C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H] ([C@H](C(=O)O)O)O; COCC(=O)N[CH](Cc1ccc( cc1)c2cc(Cl)cc(Cl)c2)[CH](O)[CH](O)C(O)= O; COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(Cl)cc (Cl)c2)[C@H](O)[C@@H](O)C(O)=O |
4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid |
| 38229 |  U95 CHEMBL5178739 |
1 | C22 H14 Cl F3 N2 O4 | InChI=1S/C22H14ClF3N2O4/c 23-16-4-1-3-15(22(24,25)2 6)18(16)19-14(20(32-28-19 )17-5-2-10-27-17)11-31-13 -8-6-12(7-9-13)21(29)30/h 1-10,27H,11H2,(H,29,30); RSKUYRRDRPIYIT-UHFFFAOYSA-N |
OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F )F)c4[nH]ccc4)cc1; c1cc(c(c(c1)Cl)c2c(c( on2)c3ccc[nH]3)COc4ccc(cc4)C(=O)O)C(F)(F )F |
4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid |
| 38230 |  U96 |
1 | C23 H20 N6 O | InChI=1S/C23H20N6O/c1-13- 3-7-17(11-24-13)29-22-20( 25-26-21(22)14-4-5-14)10- 18(23(29)30)15-6-8-19-16( 9-15)12-28(2)27-19/h3,6-1 2,14H,4-5H2,1-2H3,(H,25,2 6); FXFWSZOXZYQPQZ-UHFFFAOYSA-N |
Cc1ccc(cn1)N2c3c(n[nH]c3C4CC4)C=C(C2=O)c 5ccc6c(c5)cn(n6)C; Cn1cc2cc(ccc2n1)C3=Cc 4n[nH]c(C5CC5)c4N(C3=O)c6ccc(C)nc6 |
3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one |
| 38231 |  U97 |
6 | C6 H10 O10 S | InChI=1S/C6H10O10S/c7-1-2 (8)4(16-17(12,13)14)6(11) 15-3(1)5(9)10/h1-4,6-8,11 H,(H,9,10)(H,12,13,14)/t1 -,2+,3+,4-,6-/m0/s1; COJBCAMFZDFGFK-BKBMJHBISA-N |
C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O; O[ C@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O[S ](O)(=O)=O)C(O)=O; O[CH]1O[CH]([CH](O)[C H](O)[CH]1O[S](O)(=O)=O)C(O)=O; [C@H]1([ C@@H]([C@@H](O[C@@H]([C@H]1OS(=O)(=O)O)O )C(=O)O)O)O; C1(C(C(=O)O)OC(O)C(C1O)OS(O )(=O)=O)O |
2-O-sulfo-beta-L-galactopyranuronic acid |
| 38232 |  U98 CHEMBL1330078 ZINC000000481463 |
4 | C12 H10 F3 N3 O2 S | InChI=1S/C12H10F3N3O2S/c1 3-12(14,15)8-3-1-4-9(7-8) 18-11-10(21(16,19)20)5-2- 6-17-11/h1-7H,(H,17,18)(H 2,16,19,20); WOYXTNYWFYWXFO-UHFFFAOYSA-N |
c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F) F; FC(F)(F)c1cc(ccc1)Nc2ncccc2S(=O)(=O)N ; N[S](=O)(=O)c1cccnc1Nc2cccc(c2)C(F)(F) F |
2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide |
| 38233 |  U99 CHEMBL258098 ZINC000028120490 |
2 | C23 H30 O8 | InChI=1S/C23H30O8/c1-22-7 -5-14-21(26)31-17(13-6-8- 29-11-13)10-23(14,2)19(22 )18(24)16(30-12-27-3)9-15 (22)20(25)28-4/h6,8,11,14 -17,19H,5,7,9-10,12H2,1-4 H3/t14-,15-,16-,17-,19-,2 2-,23-/m0/s1; KFVUSZPWUZBAPF-AGQYDFLVSA-N |
CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC) OCOC)C)c4ccoc4; COCO[C@H]1C[C@@H](C(=O)O C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C) [C@H]2C1=O)c4cocc4; C[C@@]12CC[C@H]3C(=O )O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H] 2C(=O)OC)OCOC)C)c4ccoc4; O=C(OC)C1CC(OCO C)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)c1ccoc1; COCO[CH]1C[CH](C(=O)OC)[C]2(C)CC[CH]3C( =O)O[CH](C[C]3(C)[CH]2C1=O)c4cocc4 |
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(methoxymethoxy)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-naphtho[2,1-c]pyran-7-carboxylate |
| 38234 |  U9A |
6 | C5 H11 N O11 S2 | InChI=1S/C5H11NO11S2/c7-2 -1(6-18(10,11)12)4(9)16-5 (3(2)8)17-19(13,14)15/h1- 9H,(H,10,11,12)(H,13,14,1 5)/t1-,2-,3-,4-,5-/m1/s1; SENPUEYGUGAZCY-WHDMSYDLSA-N |
[C@H]1([C@H]([C@H]([C@H](O[C@H]1O)OS(=O) (=O)O)O)O)NS(=O)(=O)O; O[CH]1O[CH](O[S]( O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)= O; O[C@@H]1O[C@H](O[S](O)(=O)=O)[C@H](O) [C@H](O)[C@H]1N[S](O)(=O)=O; C1(C(C(NS(O )(=O)=O)C(OC1OS(O)(=O)=O)O)O)O; C1(C(C(C (OC1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O |
[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid |
| 38235 |  U9B |
1 | C16 H27 N2 O4 P | InChI=1S/C16H25N2O4P/c17- 9-5-4-8-16(15(19)20)13-18 (10-11-23(16,21)22)12-14- 6-2-1-3-7-14/h1-3,6-7H,4- 5,8-13,17H2,(H,19,20)(H,2 1,22)/p+2/t16-/m0/s1; ZNSVXALGZJWZDW-INIZCTEOSA-P |
c1ccc(cc1)C[NH+]2CCP(=O)(C(C2)(CCCC[NH3+ ])C(=O)O)O; [NH3+]CCCC[C@]1(C[NH+](CC[P] 1(O)=O)Cc2ccccc2)C(O)=O; c1ccc(cc1)C[N@@ H+]2CCP(=O)([C@](C2)(CCCC[NH3+])C(=O)O)O ; [NH3+]CCCC[C]1(C[NH+](CC[P]1(O)=O)Cc2c cccc2)C(O)=O |
(1R,3S)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide; 4-[(1~{R},3~{S})-3-carboxy-4-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium |
| 38236 |  U9C |
1 | C13 H12 N4 S | InChI=1S/C13H12N4S/c14-8- 1-3-9(4-2-8)16-10-5-6-11- 12(7-10)18-17-13(11)15/h1 -7,16H,14H2,(H2,15,17); FECJVFNLOHROBQ-UHFFFAOYSA-N |
c1cc(ccc1N)Nc2ccc3c(c2)snc3N; Nc1ccc(Nc2 ccc3c(N)nsc3c2)cc1 |
~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-diamine |
| 38237 |  U9D |
0 | C9 H18 O5 | InChI=1S/C9H18O5/c1-11-5- 6-4-7(12-2)8(13-3)9(10)14 -6/h6-10H,4-5H2,1-3H3/t6- ,7-,8+,9?/m0/s1; VGIKFUPOZBZSKX-VTBDLZGYSA-N |
COCC1CC(C(C(O1)O)OC)OC; COC[C@@H]1C[C@@H ]([C@H](C(O1)O)OC)OC; COC[C@@H]1C[C@H](O C)[C@@H](OC)[C@@H](O)O1; COC[CH]1C[CH](O C)[CH](OC)[CH](O)O1; C1C(OC(C(C1OC)OC)O) COC |
4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose |
| 38238 |  U9E CHEMBL5094126 |
1 | C21 H17 Cl N2 O2 | InChI=1S/C21H17ClN2O2/c1- 2-12-18(15-6-3-4-8-16(15) 22)20(21(25)26)24-19(12)1 4-7-5-9-17-13(14)10-11-23 -17/h3-11,23-24H,2H2,1H3, (H,25,26); DUINDISWGSUWAX-UHFFFAOYSA-N |
CCc1c([nH]c(C(O)=O)c1c2ccccc2Cl)c3cccc4[ nH]ccc34; CCc1c(c([nH]c1c2cccc3c2cc[nH]3 )C(=O)O)c4ccccc4Cl |
3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid |
| 38239 |  U9F |
2 | C47 H46 B F3 I N9 O7 | InChI=1S/C47H46BF3IN9O7/c 1-28-43-42(44(57(2)45(28) 64)56-37-15-8-29(52)25-36 (37)49)46(65)59(31-9-10-3 1)47(66)58(43)33-6-3-5-30 (26-33)55-41(63)18-21-67- 23-24-68-22-20-54-40(62)1 7-14-32-11-12-34-27-35-13 -16-39(38-7-4-19-53-38)61 (35)48(50,51)60(32)34/h3- 8,11-13,15-16,19,25-27,31 ,53,56H,9-10,14,17-18,20- 24H2,1-2H3,(H,54,62)(H,55 ,63); IBAMXDPOERGEKA-UHFFFAOYSA-N |
CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc 4ccc(I)cc4F)c5cccc(NC(=O)CCOCCOCCNC(=O)C CC6=[N+]7C(=Cc8ccc(n8[B-]7(F)F)c9[nH]ccc 9)C=C6)c5)C; [B-]1(n2c(ccc2c3ccc[nH]3)C= C4[N+]1=C(C=C4)CCC(=O)NCCOCCOCCC(=O)Nc5c ccc(c5)N6C7=C(C(=O)N(C(=C7C(=O)N(C6=O)C8 CC8)Nc9ccc(cc9F)I)C)C)(F)F; F[B-]1(F)[N+ ]=2C(=Cc3ccc(c4ccc[NH]4)n31)C=CC=2CCC(=O )NCCOCCOCCC(=O)Nc1cccc(c1)N1C2=C(C)C(=O) N(C)C(Nc3ccc(I)cc3F)=C2C(=O)N(C1=O)C1CC1 |
{3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron |
| 38240 |  U9G ZINC000006483310 |
1 | C8 H16 O9 S | InChI=1S/C8H16O9S/c1-14-6 -5(9)4(3-16-18(11,12)13)1 7-8(10)7(6)15-2/h4-10H,3H 2,1-2H3,(H,11,12,13)/t4-, 5-,6+,7-,8+/m1/s1; SYRNRUURZIIPLL-CBQIKETKSA-N |
CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O )COS(=O)(=O)O)O; CO[CH]1[CH](O)O[CH](CO[ S](O)(=O)=O)[CH](O)[CH]1OC; OC1C(OC(C(C1 OC)OC)O)COS(O)(=O)=O; COC1C(C(OC(C1OC)O) COS(=O)(=O)O)O; CO[C@H]1[C@@H](O)O[C@H]( CO[S](O)(=O)=O)[C@@H](O)[C@@H]1OC |
2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose |
| 38241 |  U9H |
2 | C15 H16 F N3 O2 | InChI=1S/C15H16FN3O2/c16- 11-4-12(8-17-7-11)19-13(2 0)15(18-14(19)21)5-10(6-1 5)9-2-1-3-9/h4,7-10H,1-3, 5-6H2,(H,18,21)/t10-,15-; FOZLXSUKKDDCIZ-LGZQZNNBSA-N |
c1c(cncc1F)N2C(=O)C3(CC(C3)C4CCC4)NC2=O; Fc1cncc(c1)N2C(=O)N[C]3(C[CH](C3)C4CCC4 )C2=O; Fc1cncc(c1)N2C(=O)N[C@@]3(C[C@H]( C3)C4CCC4)C2=O |
2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione; 2-cyclobutyl-7-(5-fluoranylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione |
| 38242 |  U9I CHEMBL277863 ZINC000003792990 |
2 | C19 H25 Cl2 N3 O3 | InChI=1S/C19H25Cl2N3O3/c1 -27-19(26)23-8-9-24(15(13 -23)12-22-6-2-3-7-22)18(2 5)11-14-4-5-16(20)17(21)1 0-14/h4-5,10,15H,2-3,6-9, 11-13H2,1H3/t15-/m1/s1; HJUAKZYKCANOOZ-OAHLLOKOSA-N |
COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)Cc3ccc(c (c3)Cl)Cl; COC(=O)N1CCN([C@H](CN2CCCC2)C 1)C(=O)Cc3ccc(Cl)c(Cl)c3; Clc1ccc(cc1Cl) CC(=O)N1CCN(CC1CN1CCCC1)C(=O)OC; COC(=O) N1CCN([C@@H](C1)CN2CCCC2)C(=O)Cc3ccc(c(c 3)Cl)Cl; COC(=O)N1CCN([CH](CN2CCCC2)C1)C (=O)Cc3ccc(Cl)c(Cl)c3 |
methyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-[(pyrrolidin-1-yl)methyl]piperazine-1-carboxylate |
| 38243 |  U9J |
1 | C8 H16 O7 | InChI=1S/C8H16O7/c1-13-4- 3(9)5(7(10)11)15-8(12)6(4 )14-2/h3-12H,1-2H3/t3-,4- ,5+,6+,8+/m0/s1; ABSMSNIBELWCOB-XLIHNKEPSA-N |
CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O )C(O)O)O; CO[C@H]1[C@H](O)O[C@@H](C(O)O) [C@@H](O)[C@@H]1OC; CO[CH]1[CH](O)O[CH]( C(O)O)[CH](O)[CH]1OC; COC1C(C(OC(C1OC)O) C(O)O)O; OC1C(OC(C(C1OC)OC)O)C(O)O |
(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol |
| 38244 |  U9K |
1 | C20 H30 F N4 O4 P | InChI=1S/C20H28FN4O4P/c1- 24-14-23-11-18(24)17-10-1 6(21)5-4-15(17)12-25-8-9- 30(28,29)20(13-25,19(26)2 7)6-2-3-7-22/h4-5,10-11,1 4H,2-3,6-9,12-13,22H2,1H3 ,(H,26,27)(H,28,29)/p+2/t 20-/m0/s1; ZBWZIBATIOSFOY-FQEVSTJZSA-P |
Cn1cncc1c2cc(F)ccc2C[NH+]3CC[P](O)(=O)[C @@](CCCC[NH3+])(C3)C(O)=O; Cn1cncc1c2cc( ccc2C[NH+]3CCP(=O)(C(C3)(CCCC[NH3+])C(=O )O)O)F; Cn1cncc1c2cc(ccc2C[N@@H+]3CCP(=O )([C@](C3)(CCCC[NH3+])C(=O)O)O)F; Cn1cnc c1c2cc(F)ccc2C[NH+]3CC[P](O)(=O)[C](CCCC [NH3+])(C3)C(O)=O |
(1R,3S)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1H-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide; 4-[(1~{R},3~{S})-3-carboxy-1-[[4-fluoranyl-2-(3-methylimidazol-4-yl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium |
| 38245 |  U9L |
10 | C22 H21 Cl N4 | InChI=1S/C22H21ClN4/c23-1 7-5-3-4-16(14-17)15-27-11 -8-19-21(27)18-6-1-2-7-20 (18)25-22(19)26-12-9-24-1 0-13-26/h1-8,11,14,24H,9- 10,12-13,15H2; MFUVKDHSDIAPMH-UHFFFAOYSA-N |
Clc1cccc(Cn2ccc3c(nc4ccccc4c23)N5CCNCC5) c1; c1ccc2c(c1)c3c(ccn3Cc4cccc(c4)Cl)c(n 2)N5CCNCC5 |
1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline |
| 38246 |  U9M |
0 | C8 H16 O7 | InChI=1S/C8H16O7/c1-13-4- 3(9)5(7(10)11)15-8(12)6(4 )14-2/h3-12H,1-2H3/t3-,4- ,5-,6+,8+/m0/s1; ABSMSNIBELWCOB-GRJZWZNASA-N |
CO[C@H]1[C@H](O)O[C@H](C(O)O)[C@@H](O)[C @@H]1OC; CO[C@H]1[C@@H]([C@H](O[C@H]([C@ @H]1OC)O)C(O)O)O; CO[CH]1[CH](O)O[CH](C( O)O)[CH](O)[CH]1OC; COC1C(C(OC(C1OC)O)C( O)O)O; OC1C(OC(C(C1OC)OC)O)C(O)O |
(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol |
| 38247 |  U9N |
1 | C33 H66 N O8 P | InChI=1S/C33H66NO8P/c1-3- 5-7-9-11-12-13-14-15-16-1 7-18-20-21-23-25-32(35)39 -29-31(30-41-43(37,38)40- 28-27-34)42-33(36)26-24-2 2-19-10-8-6-4-2/h31H,3-30 ,34H2,1-2H3,(H,37,38)/t31 -/m0/s1; IQGMGIHASGWWFZ-HKBQPEDESA-N |
CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O )OCCN)OC(=O)CCCCCCCCC; CCCCCCCCCCCCCCCCC C(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCC CCCC; CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)( O)OCCN)OC(=O)CCCCCCCCC; CCCCCCCCCCCCCCCC CC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(=O)CC CCCCCCC |
[(2~{S})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate |
| 38248 |  U9O |
1 | C5 H11 N O2 | InChI=1S/C5H11NO2/c6-3-1- 2-5(8)4-7/h7H,1-4,6H2; RXEZLKNFLIROMJ-UHFFFAOYSA-N |
C(CC(=O)CO)CN; NCCCC(=O)CO | 5-azanyl-1-oxidanyl-pentan-2-one |
| 38249 |  U9P CHEMBL5221518 |
2 | C23 H26 N8 O2 | InChI=1S/C23H26N8O2/c1-14 (2)30-6-4-20(29-30)19-12- 31-22(28-21(19)27-17-5-7- 33-13-17)18(11-26-31)15-8 -16(10-25-9-15)23(32)24-3 /h4,6,8-12,14,17H,5,7,13H 2,1-3H3,(H,24,32)(H,27,28 )/t17-/m0/s1; XGJBIMKIGAOMPJ-KRWDZBQOSA-N |
CNC(=O)c1cncc(c1)c2cnn3cc(c(N[C@H]4CCOC4 )nc23)c5ccn(n5)C(C)C; CC(C)n1ccc(n1)c1cn 2ncc(c2nc1NC1CCOC1)c1cc(cnc1)C(=O)NC; CN C(=O)c1cncc(c1)c2cnn3cc(c(N[CH]4CCOC4)nc 23)c5ccn(n5)C(C)C; CC(C)n1ccc(n1)c2cn3c( c(cn3)c4cc(cnc4)C(=O)NC)nc2NC5CCOC5; CC( C)n1ccc(n1)c2cn3c(c(cn3)c4cc(cnc4)C(=O)N C)nc2N[C@H]5CCOC5 |
(5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide |
| 38250 |  U9Q CHEMBL4846153 |
10 | C21 H19 Cl N4 O2 S | InChI=1S/C21H19ClN4O2S/c2 2-15-4-3-5-16(14-15)29(27 ,28)26-11-8-18-20(26)17-6 -1-2-7-19(17)24-21(18)25- 12-9-23-10-13-25/h1-8,11, 14,23H,9-10,12-13H2; MUFITXOADYQFSV-UHFFFAOYSA-N |
Clc1cccc(c1)[S](=O)(=O)n2ccc3c(nc4ccccc4 c23)N5CCNCC5; c1ccc2c(c1)c3c(ccn3S(=O)(= O)c4cccc(c4)Cl)c(n2)N5CCNCC5 |
1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline |
| 38251 |  U9R ZINC000225578129 |
1 | C8 H11 N3 O2 S | InChI=1S/C8H11N3O2S/c1-5- 2-3-13-7(5)8(12)10-6-4-9- 11-14-6/h4-5,7H,2-3H2,1H3 ,(H,10,12)/t5-,7+/m1/s1; OAYBAYPFIGUPDE-VDTYLAMSSA-N |
C[C@@H]1CCO[C@@H]1C(=O)Nc2cnns2; C[CH]1C CO[CH]1C(=O)Nc2snnc2; CC1CCOC1C(=O)Nc2cn ns2; O=C(Nc1cnns1)C1OCCC1C; C[C@@H]1CCO[ C@@H]1C(=O)Nc2snnc2 |
(2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name) |
| 38252 |  U9S CHEMBL1741775 ZINC000001675960 |
6 | C4 H4 O5 | InChI=1S/C4H4O5/c5-3(6)1- 2(9-1)4(7)8/h1-2H,(H,5,6) (H,7,8)/t1-,2+; DCEMCPAKSGRHCN-XIXRPRMCSA-N |
OC(=O)[CH]1O[CH]1C(O)=O; [C@@H]1([C@H](O 1)C(=O)O)C(=O)O; OC(=O)[C@H]1O[C@H]1C(O) =O; C(C1C(O1)C(O)=O)(=O)O; C1(C(O1)C(=O) O)C(=O)O |
(2R,3S)-oxirane-2,3-dicarboxylic acid; cis-2,3-epoxysuccinic acid |
| 38253 |  U9T |
1 | C15 H21 F N2 O | InChI=1S/C15H21FN2O/c1-12 -7-10-18(11-8-12)15(19)17 -9-6-13-4-2-3-5-14(13)16/ h2-5,12H,6-11H2,1H3,(H,17 ,19); ZOWZHYQKQARZGD-UHFFFAOYSA-N |
CC1CCN(CC1)C(=O)NCCc2ccccc2F | ~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide |
| 38254 |  U9U |
2 | C20 H17 F3 N4 O3 | InChI=1S/C20H17F3N4O3/c21 -20(22,23)14-4-2-1-3-13(1 4)11-15-26-16(17(28)19(30 )27-15)18(29)25-10-7-12-5 -8-24-9-6-12/h1-6,8-9,28H ,7,10-11H2,(H,25,29)(H,26 ,27,30); FACMTIGIIYGQOE-UHFFFAOYSA-N |
OC1=C(NC(=NC1=O)Cc2ccccc2C(F)(F)F)C(=O)N CCc3ccncc3; c1ccc(c(c1)CC2=NC(=O)C(=C(N2 )C(=O)NCCc3ccncc3)O)C(F)(F)F; FC(F)(F)c1 ccccc1CC1=NC(=O)C(O)=C(N1)C(=O)NCCc1ccnc c1 |
5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-dihydropyrimidine-4-carboxamide |
| 38255 |  U9V |
1 | C33 H64 O4 | InChI=1S/C33H64O4/c1-3-5- 7-9-11-13-15-17-19-21-23- 25-27-29-33(35)37-31-30-3 6-32(34)28-26-24-22-20-18 -16-14-12-10-8-6-4-2/h3-3 1H2,1-2H3; VKLOIKIKCDJYHU-UHFFFAOYSA-N |
CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC CCC; O(C(=O)CCCCCCCCCCCCCCC)CCOC(=O)CCCC CCCCCCCCCC |
pentadecyl(tetradecyl)peroxyanhydride |
| 38256 |  U9W ZINC000000392867 |
1 | C13 H17 Cl N2 O | InChI=1S/C13H17ClN2O/c1-1 0-6-8-16(9-7-10)13(17)15- 12-4-2-11(14)3-5-12/h2-5, 10H,6-9H2,1H3,(H,15,17); WMWBLCFXKIUSDK-UHFFFAOYSA-N |
CC1CCN(CC1)C(=O)Nc2ccc(Cl)cc2; CC1CCN(CC 1)C(=O)Nc2ccc(cc2)Cl |
~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide |
| 38257 |  U9X |
1 | C34 H60 N4 O7 | InChI=1S/C34H60N4O7/c1-13 -23(8)31(37(10)11)34(43)4 5-28(18-22(6)7)33(42)36-2 5(16-20(2)3)32(41)35-24(9 )14-15-29(39)38-26(17-21( 4)5)27(44-12)19-30(38)40/ h19-26,28,31H,13-18H2,1-1 2H3,(H,35,41)(H,36,42)/t2 3-,24-,25-,26-,28-,31-/m0 /s1; QKERMDKGLIBAHM-VZNHIJNGSA-N |
CC[CH](C)[CH](N(C)C)C(=O)O[CH](CC(C)C)C( =O)N[CH](CC(C)C)C(=O)N[CH](C)CCC(=O)N1[C H](CC(C)C)C(=CC1=O)OC; CC[C@H](C)[C@@H]( C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C) C(=O)N[C@@H](C)CCC(=O)N1[C@H](C(=CC1=O)O C)CC(C)C)N(C)C; CCC(C)C(C(=O)OC(CC(C)C)C (=O)NC(CC(C)C)C(=O)NC(C)CCC(=O)N1C(C(=CC 1=O)OC)CC(C)C)N(C)C; CC[C@H](C)[C@H](N(C )C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C )C)C(=O)N[C@@H](C)CCC(=O)N1[C@@H](CC(C)C )C(=CC1=O)OC |
[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate |
| 38258 |  U9Y CHEMBL5191319 |
2 | C17 H18 Cl2 N6 | InChI=1S/C17H18Cl2N6/c1-1 7(20)5-7-25(8-6-17)12-9-2 1-15-14(23-24-16(15)22-12 )10-3-2-4-11(18)13(10)19/ h2-4,9H,5-8,20H2,1H3,(H,2 2,23,24); AMADCPJVPLUGQO-UHFFFAOYSA-N |
CC1(N)CCN(CC1)c2cnc3c([nH]nc3c4cccc(Cl)c 4Cl)n2; c12nnc(c1ncc(n2)N3CCC(CC3)(C)N)c 4cccc(c4Cl)Cl; CC1(CCN(CC1)c2cnc3c(n[nH] c3n2)c4cccc(c4Cl)Cl)N |
1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine |
| 38259 |  U9Z |
1 | C14 H17 F3 N2 O | InChI=1S/C14H17F3N2O/c1-1 0-6-8-19(9-7-10)13(20)18- 12-4-2-11(3-5-12)14(15,16 )17/h2-5,10H,6-9H2,1H3,(H ,18,20); GSJUDFGKALFBQN-UHFFFAOYSA-N |
CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F | 4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide |
| 38260 |  UA0 |
1 | C12 H15 Cl N2 O | InChI=1S/C12H15ClN2O/c13- 10-4-3-5-11(8-10)14-12(16 )9-15-6-1-2-7-15/h3-5,8H, 1-2,6-7,9H2,(H,14,16); LYOGVEMYZLFKJY-UHFFFAOYSA-N |
Clc1cccc(NC(=O)CN2CCCC2)c1; c1cc(cc(c1)C l)NC(=O)CN2CCCC2 |
~{N}-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethanamide |
| 38261 |  UA1 ZINC000016052164 |
2 | C24 H32 N4 O8 S | InChI=1S/C24H32N4O8S/c1-2 4(2,3)36-23(32)27-20(14-1 6-7-11-18(29)12-8-16)22(3 1)26-19(21(30)25-4)13-15- 5-9-17(10-6-15)28-37(33,3 4)35/h5-12,19-20,28-29H,1 3-14H2,1-4H3,(H,25,30)(H, 26,31)(H,27,32)(H,33,34,3 5)/t19-,20-/m0/s1; WHAYYJWTZOFXQG-PMACEKPBSA-N |
CNC(=O)[CH](Cc1ccc(N[S](O)(=O)=O)cc1)NC( =O)[CH](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C; O= S(=O)(O)Nc1ccc(cc1)CC(C(=O)NC)NC(=O)C(NC (=O)OC(C)(C)C)Cc2ccc(O)cc2; CC(C)(C)OC(= O)NC(Cc1ccc(cc1)O)C(=O)NC(Cc2ccc(cc2)NS( =O)(=O)O)C(=O)NC; CC(C)(C)OC(=O)N[C@@H]( Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)NS( =O)(=O)O)C(=O)NC; CNC(=O)[C@H](Cc1ccc(N[ S](O)(=O)=O)cc1)NC(=O)[C@H](Cc2ccc(O)cc2 )NC(=O)OC(C)(C)C |
N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE |
| 38262 |  UA2 CHEMBL1236524 DB11676 ZINC000013492903 |
7 | C11 H15 N5 O3 | InChI=1S/C11H15N5O3/c12-1 1-8-6(14-3-15-11)4(1-13-8 )7-10(19)9(18)5(2-17)16-7 /h1,3,5,7,9-10,13,16-19H, 2H2,(H2,12,14,15)/t5-,7+, 9-,10+/m1/s1; AMFDITJFBUXZQN-KUBHLMPHSA-N |
Nc1ncnc2c1[nH]cc2[C@@H]3N[C@H](CO)[C@@H] (O)[C@H]3O; OC3C(c2c1ncnc(N)c1nc2)NC(CO) C3O; Nc1ncnc2c1[nH]cc2[CH]3N[CH](CO)[CH] (O)[CH]3O; c1c(c2c([nH]1)c(ncn2)N)C3C(C( C(N3)CO)O)O; c1c(c2c([nH]1)c(ncn2)N)[C@H ]3[C@@H]([C@@H]([C@H](N3)CO)O)O |
3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R |
| 38263 |  UA3 CHEMBL460901 DB02805 |
3 | C9 H13 N2 O9 P | InChI=1S/C9H13N2O9P/c12-3 -4-7(20-21(16,17)18)6(14) 8(19-4)11-2-1-5(13)10-9(1 1)15/h1-2,4,6-8,12,14H,3H 2,(H,10,13,15)(H2,16,17,1 8)/t4-,6+,7-,8-/m1/s1; FOGRQMPFHUHIGU-PXBUCIJWSA-N |
O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2O)C O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O) (O)O)O; C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@ @H](C(O2)CO)OP(=O)(O)O)O; OC[CH]1O[CH]([ CH](O)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O; OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O[P](O)( O)=O)N2C=CC(=O)NC2=O |
URACIL ARABINOSE-3'-PHOSPHATE; 1-(3-O-PHOSPHONO-BETA-L-ARABINOFURANOSYL)PYRIMIDINE-2,4(1H,3H)-DIONE |
| 38264 |  UA4 ZINC000014966349 |
2 | C25 H27 F2 N5 O3 | InChI=1S/C25H27F2N5O3/c1- 4-18-21(22(28)31-24(29)30 -18)14-6-7-20-19(10-14)32 (8-5-9-34-3)23(33)25(2,35 -20)15-11-16(26)13-17(27) 12-15/h6-7,10-13H,4-5,8-9 H2,1-3H3,(H4,28,29,30,31) /t25-/m0/s1; UAXNNGUDPWZOKX-VWLOTQADSA-N |
CCc1nc(N)nc(N)c1c2ccc3O[C](C)(C(=O)N(CCC OC)c3c2)c4cc(F)cc(F)c4; CCc1c(c(nc(n1)N) N)c2ccc3c(c2)N(C(=O)[C@](O3)(C)c4cc(cc(c 4)F)F)CCCOC; CCc1c(c(nc(n1)N)N)c2ccc3c(c 2)N(C(=O)C(O3)(C)c4cc(cc(c4)F)F)CCCOC; C Cc1nc(N)nc(N)c1c2ccc3O[C@](C)(C(=O)N(CCC OC)c3c2)c4cc(F)cc(F)c4; Fc1cc(cc(F)c1)C4 (Oc3ccc(c2c(nc(nc2N)N)CC)cc3N(C4=O)CCCOC )C |
(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE |
| 38265 |  UA5 DB08678 ZINC000016052169 |
2 | C8 H11 N O3 S | InChI=1S/C8H11NO3S/c1-2-7 -3-5-8(6-4-7)9-13(10,11)1 2/h3-6,9H,2H2,1H3,(H,10,1 1,12); HXARYYGNSVTEFC-UHFFFAOYSA-N |
CCc1ccc(N[S](O)(=O)=O)cc1; O=S(=O)(O)Nc1 ccc(cc1)CC; CCc1ccc(cc1)NS(=O)(=O)O |
(4-ETHYLPHENYL)SULFAMIC ACID |
| 38266 |  UA6 CHEMBL5188048 |
2 | C23 H15 F6 N3 O | InChI=1S/C23H15F6N3O/c24- 22(25,26)17-11-10-16(20(1 5-17)23(27,28)29)14-21(33 )32(19-8-2-1-3-9-19)13-5- 7-18-6-4-12-30-31-18/h1-4 ,6,8-12,15H,13-14H2; SCSRPWBBDHKGCX-UHFFFAOYSA-N |
c1ccc(cc1)N(CC#Cc2cccnn2)C(=O)Cc3ccc(cc3 C(F)(F)F)C(F)(F)F; FC(F)(F)c1ccc(CC(=O)N (CC#Cc2cccnn2)c3ccccc3)c(c1)C(F)(F)F; FC (F)(F)c1ccc(CC(=O)N(CC#Cc2cccnn2)c2ccccc 2)c(c1)C(F)(F)F |
2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide |
| 38267 |  UA7 ZINC000028818593 |
2 | C31 H23 Br O3 | InChI=1S/C31H23BrO3/c32-2 4-15-13-20(14-16-24)19-9- 11-21(12-10-19)23-17-22-5 -1-2-6-25(22)27(18-23)29- 30(33)26-7-3-4-8-28(26)35 -31(29)34/h1-16,23,27,33H ,17-18H2/t23-,27-/m1/s1; VEUZZDOCACZPRY-YIXXDRMTSA-N |
c1ccc2c(c1)CC(CC2C3=C(c4ccccc4OC3=O)O)c5 ccc(cc5)c6ccc(cc6)Br; c1ccc2c(c1)C[C@H]( C[C@H]2C3=C(c4ccccc4OC3=O)O)c5ccc(cc5)c6 ccc(cc6)Br; OC1=C([CH]2C[CH](Cc3ccccc23) c4ccc(cc4)c5ccc(Br)cc5)C(=O)Oc6ccccc16; C4C(c2ccc(c1ccc(cc1)Br)cc2)Cc3ccccc3C4C= 5C(Oc6c(C=5O)cccc6)=O; OC1=C([C@@H]2C[C@ @H](Cc3ccccc23)c4ccc(cc4)c5ccc(Br)cc5)C( =O)Oc6ccccc16 |
Brodifacoum; 3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one |
| 38268 |  UA8 |
1 | C14 H26 N2 O | InChI=1S/C14H26N2O/c1-12- 8-10-16(11-9-12)14(17)15- 13-6-4-2-3-5-7-13/h12-13H ,2-11H2,1H3,(H,15,17); RBBIAFZDUSBCMN-UHFFFAOYSA-N |
CC1CCN(CC1)C(=O)NC2CCCCCC2 | ~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide |
| 38269 |  UA9 |
1 | C40 H56 N4 O7 | InChI=1S/C40H56N4O7/c1-26 (2)21-31(42-39(48)35(22-2 7(3)4)51-40(49)33(43(6)7) 24-30-17-13-10-14-18-30)3 8(47)41-28(5)19-20-36(45) 44-32(34(50-8)25-37(44)46 )23-29-15-11-9-12-16-29/h 9-18,25-28,31-33,35H,19-2 4H2,1-8H3,(H,41,47)(H,42, 48)/t28-,31-,32-,33-,35-/ m0/s1; WESAHNJMKCXPAC-WEHFJZMFSA-N |
COC1=CC(=O)N([C@H]1Cc2ccccc2)C(=O)CC[C@H ](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C) C)OC(=O)[C@H](Cc3ccccc3)N(C)C; C[C@@H](C CC(=O)N1[C@H](C(=CC1=O)OC)Cc2ccccc2)NC(= O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O) [C@H](Cc3ccccc3)N(C)C; COC1=CC(=O)N([CH] 1Cc2ccccc2)C(=O)CC[CH](C)NC(=O)[CH](CC(C )C)NC(=O)[CH](CC(C)C)OC(=O)[CH](Cc3ccccc 3)N(C)C; CC(C)CC(C(=O)NC(C)CCC(=O)N1C(C( =CC1=O)OC)Cc2ccccc2)NC(=O)C(CC(C)C)OC(=O )C(Cc3ccccc3)N(C)C |
[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate |
| 38270 |  UAA CHEMBL593503 DB03048 ZINC000000403617 |
4 | C6 H6 N2 O4 | InChI=1S/C6H6N2O4/c9-4-1- 3(2-5(10)11)7-6(12)8-4/h1 H,2H2,(H,10,11)(H2,7,8,9, 12); NQAUNZZEYKWTHM-UHFFFAOYSA-N |
O=C1NC(=CC(=O)N1)CC(=O)O; OC(=O)CC1=CC(= O)NC(=O)N1; C1=C(NC(=O)NC1=O)CC(=O)O |
URACIL-6-ACETIC ACID; 6-CARBOXYMETHYLURACIL |
| 38271 |  UAB |
1 | C17 H26 N2 O | InChI=1S/C17H26N2O/c1-15- 10-13-19(14-11-15)17(20)1 8-12-6-5-9-16-7-3-2-4-8-1 6/h2-4,7-8,15H,5-6,9-14H2 ,1H3,(H,18,20); DHSRHSOXWFKTLE-UHFFFAOYSA-N |
CC1CCN(CC1)C(=O)NCCCCc2ccccc2 | 4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide |
| 38272 |  UAC |
1 | C45 H65 Cl N8 O6 | InChI=1S/C45H65ClN8O6/c1- 29(43(59)52(22-19-45(7,8) 9)33(5)42(58)51-23-20-47- 21-24-51)49(10)41(57)32(4 )54(28-36-26-48-39-25-37( 46)17-18-38(36)39)44(60)3 0(2)50(11)40(56)31(3)53(3 4(6)55)27-35-15-13-12-14- 16-35/h12-18,25-26,29-33, 47-48H,19-24,27-28H2,1-11 H3/t29-,30-,31-,32-,33-/m 0/s1; GPZUKWJTFXMPJR-ZTTXAYQISA-N |
C[C@@H](C(=O)N1CCNCC1)N(CCC(C)(C)C)C(=O) [C@H](C)N(C)C(=O)[C@H](C)N(Cc2c[nH]c3c2c cc(c3)Cl)C(=O)[C@H](C)N(C)C(=O)[C@H](C)N (Cc4ccccc4)C(=O)C; CC(C(=O)N1CCNCC1)N(CC C(C)(C)C)C(=O)C(C)N(C)C(=O)C(C)N(Cc2c[nH ]c3c2ccc(c3)Cl)C(=O)C(C)N(C)C(=O)C(C)N(C c4ccccc4)C(=O)C; C[C@H](N(C)C(=O)[C@H](C )N(Cc1c[nH]c2cc(Cl)ccc12)C(=O)[C@H](C)N( C)C(=O)[C@H](C)N(Cc3ccccc3)C(C)=O)C(=O)N (CCC(C)(C)C)[C@@H](C)C(=O)N4CCNCC4; C[CH ](N(C)C(=O)[CH](C)N(Cc1c[nH]c2cc(Cl)ccc1 2)C(=O)[CH](C)N(C)C(=O)[CH](C)N(Cc3ccccc 3)C(C)=O)C(=O)N(CCC(C)(C)C)[CH](C)C(=O)N 4CCNCC4 |
(2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide |
| 38273 |  UAD ZINC000008551270 |
1 | C14 H22 N2 O16 P2 | InChI=1S/C14H22N2O16P2/c1 7-5-3-28-13(11(22)8(5)19) 31-34(26,27)32-33(24,25)2 9-4-6-9(20)10(21)12(30-6) 16-2-1-7(18)15-14(16)23/h 1-2,5-6,8-13,17,19-22H,3- 4H2,(H,24,25)(H,26,27)(H, 15,18,23)/t5-,6+,8-,9+,10 +,11+,12+,13-/m0/s1; DQQDLYVHOTZLOR-YDXBSWQDSA-N |
O[C@H]1CO[C@@H](O[P](O)(=O)O[P](O)(=O)OC [C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O) NC3=O)[C@H](O)[C@H]1O; O=C1C=CN(C(=O)N1) C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OCC(O)C(O )C3O)O)O; C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O )OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O; O[CH]1CO[CH](O[P](O)(=O)O[P](O)(=O)OC[C H]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[ CH](O)[CH]1O; C1[C@@H]([C@@H]([C@H]([C@@ H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[ C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O )O)O)O |
[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate |
| 38274 |  UAE ZINC000005915794 |
1 | C13 H24 N2 O | InChI=1S/C13H24N2O/c1-11- 7-9-15(10-8-11)13(16)14-1 2-5-3-2-4-6-12/h11-12H,2- 10H2,1H3,(H,14,16); BOSHLBWKQSSSGD-UHFFFAOYSA-N |
CC1CCN(CC1)C(=O)NC2CCCCC2 | ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide |
| 38275 |  UAF |
1 | C16 H14 F3 N3 S | InChI=1S/C16H14F3N3S/c1-2 1(11-6-3-2-4-7-11)14(23)1 0-22-15(16(17,18)19)12-8- 5-9-13(12)20-22/h2-9,20H, 10H2,1H3; HKIQFXYWIJQJAT-UHFFFAOYSA-N |
CN(C(=S)Cn1[nH]c2cccc2c1C(F)(F)F)c3ccccc 3; CN(c1ccccc1)C(=S)Cn2c(c-3cccc3[nH]2)C (F)(F)F; FC(F)(F)C1=C2C=CC=C2NN1CC(=S)N( C)c1ccccc1 |
N-methyl-N-phenyl[(3aM)-3-(trifluoromethyl)cyclopenta[c]pyrazol-2(1H)-yl]ethanethioamide |
| 38276 |  UAG DB02314 ZINC000096068408 |
11 | C28 H43 N5 O23 P2 | InChI=1S/C28H43N5O23P2/c1 -10(23(42)31-13(26(44)45) 4-5-17(37)38)29-24(43)11( 2)52-22-18(30-12(3)35)27( 54-14(8-34)20(22)40)55-58 (49,50)56-57(47,48)51-9-1 5-19(39)21(41)25(53-15)33 -7-6-16(36)32-28(33)46/h6 -7,10-11,13-15,18-22,25,2 7,34,39-41H,4-5,8-9H2,1-3 H3,(H,29,43)(H,30,35)(H,3 1,42)(H,37,38)(H,44,45)(H ,47,48)(H,49,50)(H,32,36, 46)/t10-,11+,13+,14+,15+, 18+,19+,20+,21+,22+,25+,2 7+/m0/s1; OJZCATPXPWFLHF-HPUCEMLMSA-N |
C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(= O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([ C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@ @H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3= O)O)O)NC(=O)C; C[CH](NC(=O)[CH](C)O[CH]1 [CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)( =O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O) NC3=O)[CH]1NC(C)=O)C(=O)N[CH](CCC(O)=O)C (O)=O; C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H ](O)[C@@H](CO)O[C@H](O[P@](O)(=O)O[P@@]( O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3 C=CC(=O)NC3=O)[C@@H]1NC(C)=O)C(=O)N[C@H] (CCC(O)=O)C(O)=O; CC(C(=O)NC(CCC(=O)O)C( =O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)OP(=O)(O )OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O )O)NC(=O)C; O=P(OC1OC(C(O)C(OC(C(=O)NC(C (=O)NC(C(=O)O)CCC(=O)O)C)C)C1NC(=O)C)CO) (O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C 3O |
URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE-D-GLUTAMATE |
| 38277 |  UAH |
2 | C7 H10 N O5 P | InChI=1S/C7H10NO5P/c1-5-7 (9)2-6(3-8-5)4-13-14(10,1 1)12/h2-3,9H,4H2,1H3,(H2, 10,11,12); CKIPHKBHPIDPOG-UHFFFAOYSA-N |
Cc1c(cc(cn1)COP(=O)(O)O)O; Cc1ncc(CO[P]( O)(O)=O)cc1O; Cc1ncc(cc1O)COP(O)(O)=O |
(5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate; 4'-deformyl pyidoxal phosphote |
| 38278 |  UAI |
2 | C15 H14 Cl2 O2 | InChI=1S/C15H14Cl2O2/c1-1 5(2,9-3-5-13(18)11(16)7-9 )10-4-6-14(19)12(17)8-10/ h3-8,18-19H,1-2H3; XBQRPFBBTWXIFI-UHFFFAOYSA-N |
CC(C)(c1ccc(c(c1)Cl)O)c2ccc(c(c2)Cl)O; C C(C)(c1ccc(O)c(Cl)c1)c2ccc(O)c(Cl)c2 |
2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol |
| 38279 |  UAJ ZINC000100038034 |
2 | C23 H15 Cl O3 | InChI=1S/C23H15ClO3/c24-1 6-12-10-15(11-13-16)19(14 -6-2-1-3-7-14)23(27)20-21 (25)17-8-4-5-9-18(17)22(2 0)26/h1-13,19-20H/t19-/m1 /s1; UDHXJZHVNHGCEC-LJQANCHMSA-N |
c1ccc(cc1)C(c2ccc(cc2)Cl)C(=O)C3C(=O)c4c cccc4C3=O; Clc1ccc(cc1)[C@H](C(=O)C2C(=O )c3ccccc3C2=O)c4ccccc4; c1ccc(cc1)[C@H]( c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O; c 1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4cc c(Cl)cc4; Clc1ccc(cc1)[CH](C(=O)C2C(=O)c 3ccccc3C2=O)c4ccccc4 |
Chlorophacinone; 2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione |
| 38280 |  UAK |
1 | C15 H22 N2 O | InChI=1S/C15H22N2O/c1-12- 8-10-17(11-9-12)15(18)16- 13(2)14-6-4-3-5-7-14/h3-7 ,12-13H,8-11H2,1-2H3,(H,1 6,18)/t13-/m1/s1; PSSJJOIQPKCPGY-CYBMUJFWSA-N |
CC1CCN(CC1)C(=O)N[C@H](C)c2ccccc2; CC1CC N(CC1)C(=O)NC(C)c2ccccc2; CC1CCN(CC1)C(= O)N[CH](C)c2ccccc2 |
4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide |
| 38281 |  UAL |
0 | C4 H7 N3 O3 | InChI=1S/C4H7N3O3/c5-2(3( 8)9)1-7-4(6)10/h1H,5H2,(H ,8,9)(H3,6,7,10)/b2-1-; KFNFSNNTMFEOGR-UPHRSURJSA-N |
C(=C(/C(=O)O)\N)\NC(=O)N; C(=C(C(=O)O)N) NC(=O)N; NC(=O)NC=C(N)C(O)=O; NC(=O)N/C= C(N)/C(O)=O |
(2Z)-2-amino-3-(carbamoylamino)prop-2-enoic acid |
| 38282 |  UAM CHEMBL3799391 ZINC000014417871 |
7 | C20 H29 N3 O7 | InChI=1S/C20H29N3O7/c1-9( 2)6-12(23-19(28)18(27)17( 26)11(21)8-15(22)25)14-7- 10-4-3-5-13(24)16(10)20(2 9)30-14/h3-5,9,11-12,14,1 7-18,24,26-27H,6-8,21H2,1 -2H3,(H2,22,25)(H,23,28)/ t11-,12-,14-,17-,18-/m0/s 1; DCPWYLSPIAHJFU-YKRRISCLSA-N |
O=C(N)CC(N)C(O)C(O)C(=O)NC(C2OC(=O)c1c(c ccc1O)C2)CC(C)C; CC(C)C[CH](NC(=O)[CH](O )[CH](O)[CH](N)CC(N)=O)[CH]1Cc2cccc(O)c2 C(=O)O1; CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C (=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N )N)O)O; CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H ](O)[C@@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2 C(=O)O1; CC(C)CC(C1Cc2cccc(c2C(=O)O1)O)N C(=O)C(C(C(CC(=O)N)N)O)O |
Amicoumacin A |
| 38283 |  UAN |
1 | C7 H9 N5 O | InChI=1S/C7H9N5O/c1-8-7-1 0-5-4(6(13)11-7)9-3-12(5) 2/h3H,1-2H3,(H2,8,10,11,1 3); VUUPVSDSPZJFFN-UHFFFAOYSA-N |
CNC1=Nc2c(ncn2C)C(=O)N1; CNC1=Nc2n(C)cnc 2C(=O)N1 |
9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE |
| 38284 |  UAO |
1 | C12 H12 N2 O | InChI=1S/C12H12N2O/c15-12 -6-5-10(14-12)11-7-8-3-1- 2-4-9(8)13-11/h1-4,7,10,1 3H,5-6H2,(H,14,15)/t10-/m 0/s1; SNOGMRAGDZEUJL-JTQLQIEISA-N |
O=C1CC[C@H](N1)c2[nH]c3ccccc3c2; c1ccc2c (c1)cc([nH]2)C3CCC(=O)N3; c1ccc2c(c1)cc( [nH]2)[C@@H]3CCC(=O)N3; O=C1CC[CH](N1)c2 [nH]c3ccccc3c2 |
(5~{S})-5-(1~{H}-indol-2-yl)pyrrolidin-2-one |
| 38285 |  UAP DB03981 ZINC000005834516 |
24 | C6 H8 O9 S | InChI=1S/C6H8O9S/c7-2-1-3 (5(8)9)14-6(10)4(2)15-16( 11,12)13/h1-2,4,6-7,10H,( H,8,9)(H,11,12,13)/t2-,4+ ,6+/m0/s1; VJIMUKBSNUBECH-YKKSOZKNSA-N |
C1=C(OC(C(C1O)OS(=O)(=O)O)O)C(=O)O; O[CH ]1OC(=C[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O; O[C@@H]1OC(=C[C@H](O)[C@H]1O[S](O)(=O)= O)C(O)=O; O=C(O)C=1OC(O)C(OS(=O)(=O)O)C( O)C=1; C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O) (=O)O)O)C(=O)O |
4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid; 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enuronic acid; 4-deoxy-2-O-sulfo-L-threo-hex-4-enuronic acid; 4-deoxy-2-O-sulfo-threo-hex-4-enuronic acid |
| 38286 |  UAQ |
1 | C12 H18 N2 O2 | InChI=1S/C12H18N2O2/c1-10 -4-6-14(7-5-10)12(15)13-9 -11-3-2-8-16-11/h2-3,8,10 H,4-7,9H2,1H3,(H,13,15); WVQSALJZZLSNAY-UHFFFAOYSA-N |
CC1CCN(CC1)C(=O)NCc2occc2; CC1CCN(CC1)C( =O)NCc2ccco2 |
~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide |
| 38287 |  UAR ZINC000002606131 |
0 | C9 H13 N2 O9 P | InChI=1S/C9H13N2O9P/c12-5 -1-2-11(9(15)10-5)8-7(14) 6(13)4(20-8)3-19-21(16,17 )18/h1-2,4,6-8,13-14H,3H2 ,(H,10,12,15)(H2,16,17,18 )/t4-,6-,7+,8-/m1/s1; DJJCXFVJDGTHFX-CCXZUQQUSA-N |
O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O) O; C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([ C@H](O2)COP(=O)(O)O)O)O; O[CH]1[CH](O)[C H](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O) O)O; O[C@H]1[C@H](O)[C@@H](O[C@@H]1CO[P] (O)(O)=O)N2C=CC(=O)NC2=O |
URACIL ARABINOSE-5'-PHOSPHATE |
| 38288 |  UAS CHEMBL711 DB00498 ZINC000100004862 |
1 | C15 H10 O2 | InChI=1S/C15H10O2/c16-14- 11-8-4-5-9-12(11)15(17)13 (14)10-6-2-1-3-7-10/h1-9, 13H; NFBAXHOPROOJAW-UHFFFAOYSA-N |
c1ccc(cc1)C2C(=O)c3ccccc3C2=O; O=C1C(c2c cccc2)C(=O)c3ccccc13; c1c2C(C(C(=O)c2ccc 1)c3ccccc3)=O |
Phenindione; 2-phenyl-1H-indene-1,3(2H)-dione |
| 38289 |  UAT |
1 | C14 H20 N2 O | InChI=1S/C14H20N2O/c1-12- 7-9-16(10-8-12)14(17)15-1 1-13-5-3-2-4-6-13/h2-6,12 H,7-11H2,1H3,(H,15,17); ACFQCOHGQYWPEA-UHFFFAOYSA-N |
CC1CCN(CC1)C(=O)NCc2ccccc2 | 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide |
| 38290 |  UAU CHEMBL5266553 |
2 | C23 H22 N6 O2 | InChI=1S/C23H22N6O2/c1-16 -14-28(11-12-31-16)21-8-9 -24-13-19(21)27-23(30)18- 7-10-25-29-15-20(26-22(18 )29)17-5-3-2-4-6-17/h2-10 ,13,15-16H,11-12,14H2,1H3 ,(H,27,30)/t16-/m0/s1; MENVSADYTLLXLP-INIZCTEOSA-N |
C[CH]1CN(CCO1)c2ccncc2NC(=O)c3ccnn4cc(nc 34)c5ccccc5; CC1CN(CCO1)c2ccncc2NC(=O)c3 ccnn4c3nc(c4)c5ccccc5; O=C(Nc1cnccc1N1CC (C)OCC1)c1ccnn2cc(nc21)c1ccccc1; C[C@H]1 CN(CCO1)c2ccncc2NC(=O)c3ccnn4cc(nc34)c5c cccc5 |
(4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide |
| 38291 |  UAV |
1 | C31 H48 O3 | InChI=1S/C31H48O3/c1-22(2 )12-9-13-23(3)14-10-15-24 (4)16-11-17-25(5)20-21-31 (34)26(6)29(32)27-18-7-8- 19-28(27)30(31)33/h7-8,18 -20,22-24,26,34H,9-17,21H 2,1-6H3/b25-20+/t23?,24-, 26-,31+/m0/s1; OOJSROHRRKVBFW-USURNWHCSA-N |
C[C@H]1C(=O)c2ccccc2C(=O)[C@]1(C/C=C(\C) /CCC[C@@H](C)CCCC(C)CCCC(C)C)O; CC(C)CCC C(C)CCC[C@H](C)CCC\C(C)=C\C[C@@]1(O)[C@@ H](C)C(=O)c2ccccc2C1=O; c12c(cccc1)C(=O) C(C[C@H]=C(CCCC(CCCC(CCCC(C)C)C)C)C)(C(C 2=O)C)O; CC1C(=O)c2ccccc2C(=O)C1(CC=C(C) CCCC(C)CCCC(C)CCCC(C)C)O; CC(C)CCCC(C)CC C[CH](C)CCCC(C)=CC[C]1(O)[CH](C)C(=O)c2c cccc2C1=O |
(2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione |
| 38292 |  UAW |
1 | C13 H18 N2 O2 | InChI=1S/C13H18N2O2/c1-10 -6-8-15(9-7-10)13(17)14-1 1-2-4-12(16)5-3-11/h2-5,1 0,16H,6-9H2,1H3,(H,14,17); UZAHGCAHTQUCTG-UHFFFAOYSA-N |
CC1CCN(CC1)C(=O)Nc2ccc(cc2)O; CC1CCN(CC1 )C(=O)Nc2ccc(O)cc2 |
~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide |
| 38293 |  UAX |
1 | C31 H41 N5 O7 | InChI=1S/C31H41N5O7/c1-31 (2,3)43-30(42)35-22-10-7- 15-36(29(22)41)24(16-19-1 1-12-19)27(39)34-23(17-21 -13-14-32-26(21)38)25(37) 28(40)33-18-20-8-5-4-6-9- 20/h4-10,15,19,21,23-25,3 7H,11-14,16-18H2,1-3H3,(H ,32,38)(H,33,40)(H,34,39) (H,35,42)/t21-,23+,24+,25 +/m1/s1; FRACPXUHUTXLCX-VZVHPENPSA-N |
CC(C)(C)OC(=O)NC1=CC=CN([C@@H](CC2CC2)C( =O)N[C@@H](C[C@H]3CCNC3=O)[C@H](O)C(=O)N Cc4ccccc4)C1=O; CC(C)(C)OC(=O)NC1=CC=CN( C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@H]3C CNC3=O)[C@@H](C(=O)NCc4ccccc4)O; CC(C)(C )OC(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(=O)NC(C C3CCNC3=O)C(C(=O)NCc4ccccc4)O; CC(C)(C)O C(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[ CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O |
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate; (S,S,R)-13b; ketoamide inhibitor 13b (bound) |
| 38294 |  UAY |
2 | C13 H8 N2 O2 S | InChI=1S/C13H8N2O2S/c14-1 0-11-8(12(16)15-13(10)17) 6-9(18-11)7-4-2-1-3-5-7/h 1-6,14H,(H,15,16,17)/b14- 10-; CQHAROORCYWRRH-UVTDQMKNSA-N |
N=C1C(=O)NC(=O)c2cc(sc12)c3ccccc3; c1ccc (cc1)c2cc3c(s2)C(=N)C(=O)NC3=O; [H]/N=C\ 1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O; c1(cccc c1)c3sc\2c(C(NC(C/2=N)=O)=O)c3 |
7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione |
| 38295 |  UAZ ZINC000000397525 |
1 | C14 H20 N2 O2 | InChI=1S/C14H20N2O2/c1-11 -7-9-16(10-8-11)14(17)15- 12-3-5-13(18-2)6-4-12/h3- 6,11H,7-10H2,1-2H3,(H,15, 17); YJMGSVPGOIBYHC-UHFFFAOYSA-N |
CC1CCN(CC1)C(=O)Nc2ccc(cc2)OC; COc1ccc(N C(=O)N2CCC(C)CC2)cc1 |
~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide |
| 38296 |  UB0 |
2 | C46 H49 Cl N6 O12 S2 | InChI=1S/C46H49ClN6O12S2/ c1-46(2)22-32(48-31-8-4-6 -29(20-31)41-39(47)40(64- 24-38(56)57)42(66-41)44(5 9)60)15-18-52(46)67(62,63 )25-26-5-3-7-30(19-26)49- 37(55)23-51-16-13-27(14-1 7-51)28-9-10-33-35(21-28) 65-45(61)53(33)34-11-12-3 6(54)50-43(34)58/h3-10,19 -21,27,32,34,48H,11-18,22 -25H2,1-2H3,(H,49,55)(H,5 6,57)(H,59,60)(H,50,54,58 )/t32-,34+/m0/s1; XIVCTXQEWAGEQY-UZNNEEJFSA-N |
CC1(C)C[C@H](CCN1[S](=O)(=O)Cc2cccc(NC(= O)CN3CCC(CC3)c4ccc5N([C@@H]6CCC(=O)NC6=O )C(=O)Oc5c4)c2)Nc7cccc(c7)c8sc(C(O)=O)c( OCC(O)=O)c8Cl; O=C1NC(=O)CCC1N1c2ccc(cc2 OC1=O)C1CCN(CC1)CC(=O)Nc1cccc(c1)CS(=O)( =O)N1CCC(CC1(C)C)Nc1cccc(c1)c1sc(c(OCC(= O)O)c1Cl)C(=O)O; CC1(C[C@H](CCN1S(=O)(=O )Cc2cccc(c2)NC(=O)CN3CCC(CC3)c4ccc5c(c4) OC(=O)N5[C@@H]6CCC(=O)NC6=O)Nc7cccc(c7)c 8c(c(c(s8)C(=O)O)OCC(=O)O)Cl)C; CC1(C)C[ CH](CCN1[S](=O)(=O)Cc2cccc(NC(=O)CN3CCC( CC3)c4ccc5N([CH]6CCC(=O)NC6=O)C(=O)Oc5c4 )c2)Nc7cccc(c7)c8sc(C(O)=O)c(OCC(O)=O)c8 Cl; CC1(CC(CCN1S(=O)(=O)Cc2cccc(c2)NC(=O )CN3CCC(CC3)c4ccc5c(c4)OC(=O)N5C6CCC(=O) NC6=O)Nc7cccc(c7)c8c(c(c(s8)C(=O)O)OCC(= O)O)Cl)C |
(5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid |
| 38297 |  UB1 CHEMBL220822 ZINC000035323756 |
2 | C14 H13 Br2 N3 O6 S | InChI=1S/C14H13Br2N3O6S/c 1-5-2-18(4-7(17)12(21)22) 14(25)19(11(5)20)3-6-8(15 )10(16)26-9(6)13(23)24/h2 ,7H,3-4,17H2,1H3,(H,21,22 )(H,23,24)/t7-/m0/s1; VDFYFXPYXBDMBE-ZETCQYMHSA-N |
CC1=CN(C(=O)N(C1=O)Cc2c(c(sc2C(=O)O)Br)B r)C[C@@H](C(=O)O)N; CC1=CN(C(=O)N(C1=O)C c2c(c(sc2C(=O)O)Br)Br)CC(C(=O)O)N; CC1=C N(C[CH](N)C(O)=O)C(=O)N(Cc2c(Br)c(Br)sc2 C(O)=O)C1=O; CC1=CN(C[C@H](N)C(O)=O)C(=O )N(Cc2c(Br)c(Br)sc2C(O)=O)C1=O; Brc1c(c( sc1Br)C(=O)O)CN2C(=O)C(=CN(C2=O)CC(C(=O) O)N)C |
3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-4,5-dibromothiophene-2-carboxylic acid |
| 38298 |  UB2 CHEMBL1236532 ZINC000058655594 |
1 | C18 H28 N3 O7 P | InChI=1S/C18H28N3O7P/c1-1 2(2)9-15(17(23)24)20-16(2 2)13(3)21-29(26,27)11-19- 18(25)28-10-14-7-5-4-6-8- 14/h4-8,12-13,15H,9-11H2, 1-3H3,(H,19,25)(H,20,22)( H,23,24)(H2,21,26,27)/t13 -,15-/m0/s1; RFIATXCLWWIOFV-ZFWWWQNUSA-N |
CC(C)C[C@H](NC(=O)[C@H](C)N[P@](O)(=O)CN C(=O)OCc1ccccc1)C(O)=O; CC(C)CC(C(=O)O)N C(=O)C(C)NP(=O)(CNC(=O)OCc1ccccc1)O; CC( C)C[C@@H](C(=O)O)NC(=O)[C@H](C)N[P@](=O) (CNC(=O)OCc1ccccc1)O; CC(C)C[CH](NC(=O)[ CH](C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)= O; O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1c cccc1)C)CC(C)C |
N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-alanyl-L-leucine |
| 38299 |  UB3 ZINC000058660496 |
1 | C20 H32 N3 O7 P | InChI=1S/C20H32N3O7P/c1-1 3(2)10-16(19(25)26)22-18( 24)17(14(3)4)23-31(28,29) 12-21-20(27)30-11-15-8-6- 5-7-9-15/h5-9,13-14,16-17 H,10-12H2,1-4H3,(H,21,27) (H,22,24)(H,25,26)(H2,23, 28,29)/t16-,17-/m0/s1; NFEZDCCCWWWKAJ-IRXDYDNUSA-N |
O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1cccc c1)C(C)C)CC(C)C; CC(C)C[C@H](NC(=O)[C@@H ](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(C)C)C(O )=O; CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C )C)N[P@](=O)(CNC(=O)OCc1ccccc1)O; CC(C)C [CH](NC(=O)[CH](N[P](O)(=O)CNC(=O)OCc1cc ccc1)C(C)C)C(O)=O; CC(C)CC(C(=O)O)NC(=O) C(C(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O |
N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-valyl-L-leucine |
| 38300 |  UB4 |
0 | C11 H12 N2 O2 S | InChI=1S/C11H12N2O2S/c12- 7(11(14)15)5-6-10-13-8-3- 1-2-4-9(8)16-10/h1-4,7H,5 -6,12H2,(H,14,15)/t7-/m0/ s1; QGQYYZFCDVMFIU-ZETCQYMHSA-N |
c1ccc2c(c1)nc(s2)CCC(C(=O)O)N; N[CH](CCc 1sc2ccccc2n1)C(O)=O; C(O)(C(CCc2nc1ccccc 1s2)N)=O; c1ccc2c(c1)nc(s2)CC[C@@H](C(=O )O)N; N[C@@H](CCc1sc2ccccc2n1)C(O)=O |
(2S)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid |
| 38301 |  UB5 |
1 | C12 H24 N2 O | InChI=1S/C12H24N2O/c1-3-4 -5-8-13-12(15)14-9-6-11(2 )7-10-14/h11H,3-10H2,1-2H 3,(H,13,15); ZVWQTTCMILVTNG-UHFFFAOYSA-N |
CCCCCNC(=O)N1CCC(CC1)C; CCCCCNC(=O)N1CCC (C)CC1 |
4-methyl-~{N}-pentyl-piperidine-1-carboxamide |
| 38302 |  UB6 |
1 | C27 H32 N6 O3 S | InChI=1S/C27H32N6O3S/c1-5 -21(34)30-17-7-6-8-18(17) 31-25(35)24-23-22-19(9-10 -28-26(22)37-24)33(27(36) 32-23)20-13-29-16(11-14(2 )3)12-15(20)4/h9-10,12-14 ,17-18H,5-8,11H2,1-4H3,(H ,30,34)(H,31,35)(H,32,36) /t17-,18+/m0/s1; KBWVWXCEDLZVBM-ZWKOTPCHSA-N |
CCC(=O)N[C@H]1CCC[C@H]1NC(=O)c2c3c4c(ccn c4s2)N(C(=O)N3)c5cnc(cc5C)CC(C)C; CCC(=O )NC1CCCC1NC(=O)c2c3c4c(ccnc4s2)N(C(=O)N3 )c5cnc(cc5C)CC(C)C; CCC(=O)NC1CCCC1NC(=O )c1sc2nccc3c2c1NC(=O)N3c1cnc(CC(C)C)cc1C ; CCC(=O)N[C@H]1CCC[C@H]1NC(=O)c2sc3nccc 4N(C(=O)Nc2c34)c5cnc(CC(C)C)cc5C; CCC(=O )N[CH]1CCC[CH]1NC(=O)c2sc3nccc4N(C(=O)Nc 2c34)c5cnc(CC(C)C)cc5C |
(5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide |
| 38303 |  UB7 CHEMBL1374420 ZINC000012358714 |
15 | C8 H6 O4 | InChI=1S/C8H6O4/c9-7(10)5 -1-2-6(4-3-5)8(11)12/h1-4 H,(H,9,10)(H,11,12); KKEYFWRCBNTPAC-UHFFFAOYSA-N |
c1c(ccc(c1)C(O)=O)C(=O)O; c1cc(ccc1C(=O) O)C(=O)O; OC(=O)c1ccc(cc1)C(O)=O |
terephthalic acid; benzene-1,4-dicarboxylic acid |
| 38304 |  UB8 |
1 | C15 H8 Cl3 N O2 | InChI=1S/C15H8Cl3NO2/c16- 9-4-2-1-3-7(9)13-8-5-10(1 7)11(18)6-12(8)19-14(13)1 5(20)21/h1-6,19H,(H,20,21 ); UMIQEJUGZXWUSH-UHFFFAOYSA-N |
OC(=O)c1[nH]c2cc(Cl)c(Cl)cc2c1c3ccccc3Cl ; c1ccc(c(c1)c2c3cc(c(cc3[nH]c2C(=O)O)Cl )Cl)Cl; Clc1ccccc1c1c2cc(Cl)c(Cl)cc2[NH] c1C(=O)O |
(3M)-5,6-dichloro-3-(2-chlorophenyl)-1H-indole-2-carboxylic acid |
| 38305 |  UB9 |
1 | C9 H12 O3 | InChI=1S/C9H12O3/c1-6-4-7 (11-2)9(10)8(5-6)12-3/h4- 5,10H,1-3H3; ZFBNNSOJNZBLLS-UHFFFAOYSA-N |
Cc1cc(c(c(c1)OC)O)OC; COc1cc(C)cc(OC)c1O | 2,6-dimethoxy-4-methylphenol |
| 38306 |  UBA CHEMBL373428 ZINC000016052001 |
4 | C14 H15 N3 O6 S | InChI=1S/C14H15N3O6S/c1-7 -4-16(6-9(15)12(19)20)14( 23)17(11(7)18)5-8-2-3-24- 10(8)13(21)22/h2-4,9H,5-6 ,15H2,1H3,(H,19,20)(H,21, 22)/t9-/m0/s1; ZTAZUCRXCRXNSU-VIFPVBQESA-N |
CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H ](C(=O)O)N; CC1=CN(C[C@H](N)C(O)=O)C(=O) N(Cc2ccsc2C(O)=O)C1=O; CC1=CN(C[CH](N)C( O)=O)C(=O)N(Cc2ccsc2C(O)=O)C1=O; CC1=CN( C(=O)N(C1=O)Cc2ccsc2C(=O)O)CC(C(=O)O)N; O=C(O)C(N)CN1C(=O)N(C(=O)C(=C1)C)Cc2c(sc c2)C(=O)O |
(S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-CARBOXYTHIOPHENE-3-YL-METHYL)-5-METHYLPYRIMIDINE-2,4-DIONE |
| 38307 |  UBB |
0 | C9 H13 N2 O7 P | InChI=1S/C9H13N2O7P/c12-7 -3-4-11(9(13)10-7)8-2-1-6 (18-8)5-17-19(14,15)16/h3 -4,6,8H,1-2,5H2,(H,10,12, 13)(H2,14,15,16)/t6-,8+/m 0/s1; YHPMDBWWRCBXNU-POYBYMJQSA-N |
O[P](O)(=O)OC[C@@H]1CC[C@@H](O1)N2C=CC(= O)NC2=O; C1CC(OC1COP(=O)(O)O)N2C=CC(=O)N C2=O; C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C= CC(=O)NC2=O; O=C1NC(=O)N(C=C1)C2OC(CC2)C OP(=O)(O)O; O[P](O)(=O)OC[CH]1CC[CH](O1) N2C=CC(=O)NC2=O |
2',3'-DIDEOXY-URIDINE-5'-MONOPHOSPHATE |
| 38308 |  UBC CHEMBL372797 ZINC000003996041 |
2 | C15 H15 N3 O6 | InChI=1S/C15H15N3O6/c16-1 1(14(22)23)8-17-6-5-12(19 )18(15(17)24)7-9-3-1-2-4- 10(9)13(20)21/h1-6,11H,7- 8,16H2,(H,20,21)(H,22,23) /t11-/m0/s1; UUIYULWYHDSXHL-NSHDSACASA-N |
c1ccc(c(c1)CN2C(=O)C=CN(C2=O)C[C@@H](C(= O)O)N)C(=O)O; c1ccc(c(c1)CN2C(=O)C=CN(C2 =O)CC(C(=O)O)N)C(=O)O; O=C(O)c1ccccc1CN2 C(=O)C=CN(C2=O)CC(N)C(=O)O; N[C@@H](CN1C =CC(=O)N(Cc2ccccc2C(O)=O)C1=O)C(O)=O; N[ CH](CN1C=CC(=O)N(Cc2ccccc2C(O)=O)C1=O)C( O)=O |
(S)-1-(2-AMINO-2-CARBOXYETHYL)-3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-DIONE |
| 38309 |  UBD ZINC000098209486 |
3 | C9 H14 N2 O12 P2 | InChI=1S/C9H14N2O12P2/c12 -5-1-2-11(9(14)10-5)8-6(1 3)7(23-25(18,19)20)4(22-8 )3-21-24(15,16)17/h1-2,4, 6-8,13H,3H2,(H,10,12,14)( H2,15,16,17)(H2,18,19,20) /t4-,6-,7-,8-/m1/s1; ZPVPRWPOZBXDKD-XVFCMESISA-N |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)COP(=O)(O)O)OP(=O)(O)O)O; O[C@@H]1 [C@H](O[P](O)(O)=O)[C@@H](CO[P](O)(O)=O) O[C@H]1N2C=CC(=O)NC2=O; O=C1NC(=O)N(C=C1 )C2OC(C(OP(=O)(O)O)C2O)COP(=O)(O)O; C1=C N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(= O)(O)O)O; O[CH]1[CH](O[P](O)(O)=O)[CH](C O[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O |
URIDINE 3',5'-BIS(DIHYDROGEN PHOSPHATE) |
| 38310 |  UBE CHEMBL373429 ZINC000035324127 |
2 | C20 H19 N3 O6 S | InChI=1S/C20H19N3O6S/c1-1 1-8-22(10-14(21)18(25)26) 20(29)23(17(11)24)9-13-7- 15(30-16(13)19(27)28)12-5 -3-2-4-6-12/h2-8,14H,9-10 ,21H2,1H3,(H,25,26)(H,27, 28)/t14-/m0/s1; LCZDCKMQSBGXAH-AWEZNQCLSA-N |
CC1=CN(C[C@H](N)C(O)=O)C(=O)N(Cc2cc(sc2C (O)=O)c3ccccc3)C1=O; O=C(O)c1sc(cc1CN2C( =O)C(=CN(C2=O)CC(C(=O)O)N)C)c3ccccc3; CC 1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccccc 3)C[C@@H](C(=O)O)N; CC1=CN(C[CH](N)C(O)= O)C(=O)N(Cc2cc(sc2C(O)=O)c3ccccc3)C1=O; CC1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccc cc3)CC(C(=O)O)N |
3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-5-phenylthiophene-2-carboxylic acid |
| 38311 |  UBF CHEMBL221321 ZINC000035323735 |
2 | C13 H12 Br N3 O6 S | InChI=1S/C13H12BrN3O6S/c1 4-7-4-16(5-8(15)11(19)20) 13(23)17(10(7)18)3-6-1-2- 24-9(6)12(21)22/h1-2,4,8H ,3,5,15H2,(H,19,20)(H,21, 22)/t8-/m0/s1; KKTBJRLDYITGOV-QMMMGPOBSA-N |
N[C@@H](CN1C=C(Br)C(=O)N(Cc2ccsc2C(O)=O) C1=O)C(O)=O; c1csc(c1CN2C(=O)C(=CN(C2=O) C[C@@H](C(=O)O)N)Br)C(=O)O; O=C(O)C(N)CN 1C(=O)N(C(=O)C(Br)=C1)Cc2c(scc2)C(=O)O; N[CH](CN1C=C(Br)C(=O)N(Cc2ccsc2C(O)=O)C1 =O)C(O)=O; c1csc(c1CN2C(=O)C(=CN(C2=O)CC (C(=O)O)N)Br)C(=O)O |
3-({3-[(2S)-2-amino-2-carboxyethyl]-5-bromo-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)thiophene-2-carboxylic acid |
| 38312 |  UBG |
3 | C27 H34 N9 O18 P3 | InChI=1S/C27H34N9O18P3/c1 -10-3-12-13(4-11(10)2)35( 24-18(32-12)25(41)34-27(4 2)33-24)5-14(37)19(39)15( 38)6-50-56(46,47)54-57(48 ,49)51-7-16-21(53-55(43,4 4)45)20(40)26(52-16)36-9- 31-17-22(28)29-8-30-23(17 )36/h3-4,8-9,14-16,19-21, 26,37-40H,5-7H2,1-2H3,(H, 46,47)(H,48,49)(H2,28,29, 30)(H,34,41,42)(H2,43,44, 45)/t14-,15+,16+,19-,20+, 21+,26+/m0/s1; QOJVPCDYXUQNMD-UYBVJOGSSA-N |
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H ](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@ H]4O[C@H]([C@H](O)[C@@H]4O[P](O)(O)=O)n5 cnc6c(N)ncnc56)c2cc1C; Cc1cc2c(cc1C)N(C3 =NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(= O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)OP(=O )(O)O)O)O)O; Cc1cc2c(cc1C)N(C3=NC(=O)NC( =O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O )OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4 )n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O)O; Cc1c c2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[C H](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH] ([CH](O)[CH]4O[P](O)(O)=O)n5cnc6c(N)ncnc 56)c2cc1C; P(O)(OP(OCC(C(C(CN2c3c(N=C1C( NC(N=C12)=O)=O)cc(c(C)c3)C)O)O)O)(O)=O)( =O)OCC4OC(C(C4OP(=O)(O)O)O)n5c6c(nc5)c(N )ncn6 |
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
| 38313 |  UBH ZINC000002043151 |
2 | C7 H14 O5 | InChI=1S/C7H14O5/c1-3-4(8 )6(11-2)5(9)7(10)12-3/h3- 10H,1-2H3/t3-,4-,5+,6+,7+ /m1/s1; OEKPKBBXXDGXNB-VEIUFWFVSA-N |
C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O )OC)O; CC1C(C(C(C(O1)O)O)OC)O; CO[C@H]1[ C@H](O)[C@@H](C)O[C@H](O)[C@H]1O; OC1C(O C)C(O)C(C)OC1O; CO[CH]1[CH](O)[CH](C)O[C H](O)[CH]1O |
3-O-methyl-alpha-D-rhamnopyranose; 6-deoxy-3-O-methyl-alpha-D-mannopyranose |
| 38314 |  UBI ZINC000098209487 |
0 | C14 H22 N3 O9 P | InChI=1S/C14H22N3O9P/c1-7 (2)4-15-12(19)8-5-17(14(2 1)16-13(8)20)11-3-9(18)10 (26-11)6-25-27(22,23)24/h 5,7,9-11,18H,3-4,6H2,1-2H 3,(H,15,19)(H,16,20,21)(H 2,22,23,24)/t9-,10+,11+/m 0/s1; MVIGTWKPLCSGIV-HBNTYKKESA-N |
CC(C)CNC(=O)C1=CN(C(=O)NC1=O)[C@H]2C[C@@ H]([C@H](O2)COP(=O)(O)O)O; O=P(O)(O)OCC2 OC(N1C(=O)NC(=O)C(C(=O)NCC(C)C)=C1)CC2O; CC(C)CNC(=O)C1=CN([C@H]2C[C@H](O)[C@@H] (CO[P](O)(O)=O)O2)C(=O)NC1=O; CC(C)CNC(= O)C1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O )O; CC(C)CNC(=O)C1=CN([CH]2C[CH](O)[CH]( CO[P](O)(O)=O)O2)C(=O)NC1=O |
2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate) |
| 38315 |  UBK |
1 | C35 H41 N3 O8 S | InChI=1S/C35H41N3O8S/c1-3 5(2)34(42)36-31(29-12-8-1 8-47-29)32(40)38-17-6-5-1 1-25(38)33(41)46-26(15-13 -22-14-16-27(43-3)28(19-2 2)44-4)23-9-7-10-24(20-23 )45-21-30(39)37-35/h7-10, 12,14,16,18-20,25-26,31H, 5-6,11,13,15,17,21H2,1-4H 3,(H,36,42)(H,37,39)/t25- ,26+,31+/m0/s1; UGPRMAAAPBGSML-ADRXYBOHSA-N |
CC1(C(=O)NC(C(=O)N2CCCCC2C(=O)OC(c3cccc( c3)OCC(=O)N1)CCc4ccc(c(c4)OC)OC)c5cccs5) C; COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C( =O)[C@H](NC(=O)C(C)(C)NC(=O)COc4cccc2c4) c5sccc5)cc1OC; COc1ccc(CC[CH]2OC(=O)[CH] 3CCCCN3C(=O)[CH](NC(=O)C(C)(C)NC(=O)COc4 cccc2c4)c5sccc5)cc1OC; CC1(C(=O)N[C@@H]( C(=O)N2CCCC[C@H]2C(=O)O[C@@H](c3cccc(c3) OCC(=O)N1)CCc4ccc(c(c4)OC)OC)c5cccs5)C |
(2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone |
| 38316 |  UBL CHEMBL117021 ZINC000008860530 |
2 | C21 H41 O7 P | InChI=1S/C21H41O7P/c1-2-3 -4-5-6-7-8-9-10-11-12-13- 14-15-16-17-21(23)27-18-2 0(22)19-28-29(24,25)26/h9 -10,20,22H,2-8,11-19H2,1H 3,(H2,24,25,26)/b10-9-/t2 0-/m1/s1; WRGQSWVCFNIUNZ-GDCKJWNLSA-N |
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O ; CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(= O)(O)O)O; CCCCCCCCC=CCCCCCCCC(=O)OC[CH]( O)CO[P](O)(O)=O; CCCCCCCC\C=C/CCCCCCCC(= O)OC[C@@H](O)CO[P](O)(O)=O |
[(2R)-2-oxidanyl-3-phosphonooxy-propyl] (Z)-octadec-9-enoate |
| 38317 |  UBM |
1 | C39 H50 N7 O24 P | InChI=1S/C39H50N7O24P/c1- 16(70-71(67,68)69-15-26(4 9)31(55)25(48)14-46-24-13 -18(47)3-2-17(24)12-19-32 (46)44-39(66)45-34(19)57) 33(56)43-23(38(64)65)6-10 -29(52)41-21(36(60)61)4-8 -27(50)40-20(35(58)59)5-9 -28(51)42-22(37(62)63)7-1 1-30(53)54/h2-3,12-13,16, 20-23,25-26,31,47-49,55H, 4-11,14-15H2,1H3,(H,40,50 )(H,41,52)(H,42,51)(H,43, 56)(H,53,54)(H,58,59)(H,6 0,61)(H,62,63)(H,64,65)(H ,67,68)(H,45,57,66)/t16-, 20-,21-,22-,23-,25-,26+,3 1-/m0/s1; HYGZFZXLFYAPGM-DKJXVAHLSA-N |
C1(NC(=O)N=C3C1=Cc2ccc(cc2N3CC(C(C(COP(= O)(O)OC(C)C(NC(C(=O)O)CCC(NC(C(O)=O)CCC( NC(C(=O)O)CCC(NC(C(O)=O)CCC(O)=O)=O)=O)= O)=O)O)O)O)O)=O; C[CH](O[P](O)(=O)OC[CH] (O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O) NC(=O)N=C13)C(=O)N[CH](CCC(=O)N[CH](CCC( =O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C( O)=O)C(O)=O)C(O)=O; CC(C(=O)NC(CCC(=O)NC (CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(= O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1c2 cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O; C[C@H ](O[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H]( O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13)C(= O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H]( CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C( O)=O)C(O)=O; C[C@@H](C(=O)N[C@@H](CCC(=O )N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](C CC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(= O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C 3C1=NC(=O)NC3=O)O)O)O)O |
COENZYME F420-4; (2~{S})-2-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanyl idene-4-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[8-oxidanyl-2,4-bis(oxidanylidene)-1~{H}-pyrim ido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanedi oic acid |
| 38318 |  UBN |
1 | C15 H30 N2 O | InChI=1S/C15H30N2O/c1-3-4 -5-6-7-8-11-16-15(18)17-1 2-9-14(2)10-13-17/h14H,3- 13H2,1-2H3,(H,16,18); HAWIGYZAJFCXMR-UHFFFAOYSA-N |
CCCCCCCCNC(=O)N1CCC(CC1)C; CCCCCCCCNC(=O )N1CCC(C)CC1 |
4-methyl-~{N}-[(~{E})-oct-5-enyl]piperidine-1-carboxamide |
| 38319 |  UBO ZINC000001532677 |
2 | C6 H12 O5 | InChI=1S/C6H12O5/c1-2-3(7 )4(8)5(9)6(10)11-2/h2-10H ,1H3/t2-,3-,4+,5+,6-/m1/s 1; SHZGCJCMOBCMKK-RWOPYEJCSA-N |
C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O) O)O)O; OC1C(O)C(C)OC(O)C1O; C[C@H]1O[C@@ H](O)[C@@H](O)[C@@H](O)[C@@H]1O; CC1C(C( C(C(O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH ](O)[CH]1O |
beta-D-rhamnopyranose; 6-deoxy-beta-D-mannopyranose |
| 38320 |  UBP CHEMBL200737 ZINC000013677278 |
4 | C10 H13 N3 O6 | InChI=1S/C10H13N3O6/c11-6 (9(17)18)5-12-3-1-7(14)13 (10(12)19)4-2-8(15)16/h1, 3,6H,2,4-5,11H2,(H,15,16) (H,17,18)/t6-/m0/s1; CNWDQZBURPNJRN-LURJTMIESA-N |
N[CH](CN1C=CC(=O)N(CCC(O)=O)C1=O)C(O)=O; O=C(O)C(N)CN1C=CC(=O)N(C1=O)CCC(=O)O; N [C@@H](CN1C=CC(=O)N(CCC(O)=O)C1=O)C(O)=O ; C1=CN(C(=O)N(C1=O)CCC(=O)O)CC(C(=O)O)N ; C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(= O)O)N |
3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-L-alanine; (S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)pyrimidine-2,4-dione |
| 38321 |  UBQ |
1 | C18 H36 N2 O | InChI=1S/C18H36N2O/c1-3-4 -5-6-7-8-9-10-11-14-19-18 (21)20-15-12-17(2)13-16-2 0/h17H,3-16H2,1-2H3,(H,19 ,21)/p+1; SYMUTLCUVXEJOU-UHFFFAOYSA-O |
CCCCCCCCCCCNC(=O)[N+]1CCC(C)CC1; CCCCCCC CCCCNC(=O)[N+]1CCC(CC1)C |
4-methyl-~{N}-undecyl-pyridine-1-carboxamide |
| 38322 |  UBR |
0 | C9 H12 Br N2 O8 P | InChI=1/C9H12BrN2O8P/c10- 4-2-12(9(15)11-8(4)14)7-1 -5(13)6(20-7)3-19-21(16,1 7)18/h2,5-7,13H,1,3H2,(H, 11,14,15)(H2,16,17,18)/t5 -,6+,7+/m0/s1; |
BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O )(O)O; C1C(C(OC1N2C=C(C(=O)NC2=O)Br)COP( =O)(O)O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P]( O)(O)=O)N2C=C(Br)C(=O)NC2=O; C1[C@@H]([C @H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O )O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2 C=C(Br)C(=O)NC2=O |
5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate) |
| 38323 |  UBS CHEMBL3559183 ZINC000098209488 |
1 | C20 H32 N3 O7 P | InChI=1S/C20H32N3O7P/c1-1 3(2)10-16(18(24)22-17(14( 3)4)19(25)26)23-31(28,29) 12-21-20(27)30-11-15-8-6- 5-7-9-15/h5-9,13-14,16-17 H,10-12H2,1-4H3,(H,21,27) (H,22,24)(H,25,26)(H2,23, 28,29)/t16-,17-/m0/s1; VYQPALSHFDHUJW-IRXDYDNUSA-N |
CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NP(=O)(CNC( =O)OCc1ccccc1)O; CC(C)C[C@H](N[P](O)(=O) CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(O )=O; CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(= O)O)NP(=O)(CNC(=O)OCc1ccccc1)O; O=C(O)C( NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C) C)C(C)C; CC(C)C[CH](N[P](O)(=O)CNC(=O)OC c1ccccc1)C(=O)N[CH](C(C)C)C(O)=O |
N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-valine |
| 38324 |  UBT CHEMBL2219858 ZINC000013651480 |
1 | C17 H26 N3 O7 P | InChI=1S/C17H26N3O7P/c1-1 2(2)8-14(16(23)18-9-15(21 )22)20-28(25,26)11-19-17( 24)27-10-13-6-4-3-5-7-13/ h3-7,12,14H,8-11H2,1-2H3, (H,18,23)(H,19,24)(H,21,2 2)(H2,20,25,26)/t14-/m0/s 1; NGPZALJIIRWBPS-AWEZNQCLSA-N |
CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1) C(=O)NCC(O)=O; CC(C)C[C@H](N[P](O)(=O)CN C(=O)OCc1ccccc1)C(=O)NCC(O)=O; CC(C)C[C@ @H](C(=O)NCC(=O)O)NP(=O)(CNC(=O)OCc1cccc c1)O; O=C(O)CNC(=O)C(NP(=O)(O)CNC(=O)OCc 1ccccc1)CC(C)C; CC(C)CC(C(=O)NCC(=O)O)NP (=O)(CNC(=O)OCc1ccccc1)O |
N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucylglycine |
| 38325 |  UBU CHEMBL2219861 ZINC000095553314 |
1 | C17 H28 N3 O5 P | InChI=1S/C17H28N3O5P/c1-4 -18-16(21)15(10-13(2)3)20 -26(23,24)12-19-17(22)25- 11-14-8-6-5-7-9-14/h5-9,1 3,15H,4,10-12H2,1-3H3,(H, 18,21)(H,19,22)(H2,20,23, 24)/t15-/m0/s1; AYDYEZVQGYFZKJ-HNNXBMFYSA-N |
CCNC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc 1)O; CCNC(=O)[CH](CC(C)C)N[P](O)(=O)CNC( =O)OCc1ccccc1; O=C(NCC)C(NP(=O)(O)CNC(=O )OCc1ccccc1)CC(C)C; CCNC(=O)[C@H](CC(C)C )NP(=O)(CNC(=O)OCc1ccccc1)O; CCNC(=O)[C@ H](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1 |
N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-ethyl-L-leucinamide |
| 38326 |  UBV ZINC000098209489 |
1 | C21 H34 N3 O7 P | InChI=1S/C21H34N3O7P/c1-5 -15(4)18(20(26)27)23-19(2 5)17(11-14(2)3)24-32(29,3 0)13-22-21(28)31-12-16-9- 7-6-8-10-16/h6-10,14-15,1 7-18H,5,11-13H2,1-4H3,(H, 22,28)(H,23,25)(H,26,27)( H2,24,29,30)/t15-,17-,18- /m0/s1; WXJWRPSIWAFMIG-SZMVWBNQSA-N |
CCC(C)C(C(=O)O)NC(=O)C(CC(C)C)NP(=O)(CNC (=O)OCc1ccccc1)O; CC[C@H](C)[C@@H](C(=O) O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1c cccc1)O; CC[C@H](C)[C@H](NC(=O)[C@H](CC( C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O; CC[CH](C)[CH](NC(=O)[CH](CC(C)C)N[P](O) (=O)CNC(=O)OCc1ccccc1)C(O)=O; O=C(O)C(NC (=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C) C(C)CC |
N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-isoleucine |
| 38327 |  UBW CHEMBL3558976 ZINC000098209490 |
1 | C20 H32 N3 O7 P | InChI=1S/C20H32N3O7P/c1-4 -8-16(19(25)26)22-18(24)1 7(11-14(2)3)23-31(28,29)1 3-21-20(27)30-12-15-9-6-5 -7-10-15/h5-7,9-10,14,16- 17H,4,8,11-13H2,1-3H3,(H, 21,27)(H,22,24)(H,25,26)( H2,23,28,29)/t16-,17-/m0/ s1; NARUKCIBPXPBKJ-IRXDYDNUSA-N |
CCCC(C(=O)O)NC(=O)C(CC(C)C)NP(=O)(CNC(=O )OCc1ccccc1)O; CCC[C@@H](C(=O)O)NC(=O)[C @H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O; O =C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc 1)CC(C)C)CCC; CCC[CH](NC(=O)[CH](CC(C)C) N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O; CCC [C@H](NC(=O)[C@H](CC(C)C)N[P](O)(=O)CNC( =O)OCc1ccccc1)C(O)=O |
N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-norvaline |
| 38328 |  UBX CHEMBL2219860 ZINC000095557219 |
1 | C16 H26 N3 O5 P | InChI=1S/C16H26N3O5P/c1-1 2(2)9-14(15(20)17-3)19-25 (22,23)11-18-16(21)24-10- 13-7-5-4-6-8-13/h4-8,12,1 4H,9-11H2,1-3H3,(H,17,20) (H,18,21)(H2,19,22,23)/t1 4-/m0/s1; VZBGTFZRCJNJEQ-AWEZNQCLSA-N |
CNC(=O)[C@H](CC(C)C)N[P](O)(=O)CNC(=O)OC c1ccccc1; CC(C)CC(C(=O)NC)NP(=O)(CNC(=O) OCc1ccccc1)O; CC(C)C[C@@H](C(=O)NC)NP(=O )(CNC(=O)OCc1ccccc1)O; O=C(NC)C(NP(=O)(O )CNC(=O)OCc1ccccc1)CC(C)C; CNC(=O)[CH](C C(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1 |
N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-methyl-L-leucinamide |
| 38329 |  UBY CHEMBL2219859 |
1 | C18 H28 N3 O7 P | InChI=1S/C18H28N3O7P/c1-1 2(2)9-15(16(22)20-13(3)17 (23)24)21-29(26,27)11-19- 18(25)28-10-14-7-5-4-6-8- 14/h4-8,12-13,15H,9-11H2, 1-3H3,(H,19,25)(H,20,22)( H,23,24)(H2,21,26,27)/t13 -,15-/m0/s1; DVNAMUNBHDIPLR-ZFWWWQNUSA-N |
C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O) (CNC(=O)OCc1ccccc1)O; CC(C)C[C@H](N[P](O )(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C( O)=O; CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1c cccc1)C(=O)N[CH](C)C(O)=O; O=C(O)C(NC(=O )C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)C; CC(C)CC(C(=O)NC(C)C(=O)O)NP(=O)(CNC(=O)O Cc1ccccc1)O |
N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-alanine |
| 38330 |  UBZ CHEMBL3558975 ZINC000098209491 |
1 | C19 H30 N3 O7 P | InChI=1S/C19H30N3O7P/c1-4 -15(18(24)25)21-17(23)16( 10-13(2)3)22-30(27,28)12- 20-19(26)29-11-14-8-6-5-7 -9-14/h5-9,13,15-16H,4,10 -12H2,1-3H3,(H,20,26)(H,2 1,23)(H,24,25)(H2,22,27,2 8)/t15-,16-/m0/s1; MAJTVQOCKLWFFD-HOTGVXAUSA-N |
CC[CH](NC(=O)[CH](CC(C)C)N[P](O)(=O)CNC( =O)OCc1ccccc1)C(O)=O; CC[C@H](NC(=O)[C@H ](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1)C( O)=O; O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OC c1ccccc1)CC(C)C)CC; CC[C@@H](C(=O)O)NC(= O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1) O; CCC(C(=O)O)NC(=O)C(CC(C)C)NP(=O)(CNC( =O)OCc1ccccc1)O |
(2S)-2-({N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl}amino)butanoic acid |
| 38331 |  UC0 |
1 | C34 H38 Cl N O8 S | InChI=1S/C34H38ClNO8S/c1- 4-8-25(30-16-17-31(35)45- 30)33(39)36-18-6-5-11-26( 36)34(40)44-27(23-9-7-10- 24(20-23)43-21-32(37)38)1 4-12-22-13-15-28(41-2)29( 19-22)42-3/h4,7,9-10,13,1 5-17,19-20,25-27H,1,5-6,8 ,11-12,14,18,21H2,2-3H3,( H,37,38)/t25-,26+,27-/m1/ s1; NEIWCSGIZZQIHO-KWXIBIRDSA-N |
COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O )OC(=O)[C@@H]3CCCCN3C(=O)[C@H](CC=C)c4cc c(s4)Cl; COc1ccc(CC[CH](OC(=O)[CH]2CCCCN 2C(=O)[CH](CC=C)c3sc(Cl)cc3)c4cccc(OCC(O )=O)c4)cc1OC; COc1ccc(cc1OC)CCC(c2cccc(c 2)OCC(=O)O)OC(=O)C3CCCCN3C(=O)C(CC=C)c4c cc(s4)Cl; COc1ccc(CC[C@@H](OC(=O)[C@@H]2 CCCCN2C(=O)[C@H](CC=C)c3sc(Cl)cc3)c4cccc (OCC(O)=O)c4)cc1OC |
2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
| 38332 |  UC1 CHEMBL54893 DB05871 ZINC000006069063 |
4 | C17 H18 Cl N O2 S | InChI=1S/C17H18ClNO2S/c1- 11(2)6-8-21-16-10-13(4-5- 15(16)18)19-17(22)14-7-9- 20-12(14)3/h4-7,9-10H,8H2 ,1-3H3,(H,19,22); YZHIXLCGPOTQNB-UHFFFAOYSA-N |
Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl; S=C(Nc1ccc(Cl)c(OC\C=C(/C)C)c1)c2c(occ2 )C; CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl |
2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE; UC781 |
| 38333 |  UC2 CHEMBL99965 DB08680 ZINC000006483660 |
1 | C17 H19 Cl N2 O2 S | InChI=1S/C17H19ClN2O2S/c1 -11-14(7-8-21-11)16(23)20 -13-5-6-15(18)12(9-13)10- 19-22-17(2,3)4/h5-10H,1-4 H3,(H,20,23)/b19-10+; PLGIIOKXCKDKEU-VXLYETTFSA-N |
Cc1occc1C(=S)Nc2ccc(Cl)c(\C=N\OC(C)(C)C) c2; Cc1c(cco1)C(=S)Nc2ccc(c(c2)C=NOC(C)( C)C)Cl; S=C(Nc1cc(\C=N\OC(C)(C)C)c(Cl)cc 1)c2c(occ2)C; Cc1occc1C(=S)Nc2ccc(Cl)c(C =NOC(C)(C)C)c2; Cc1c(cco1)C(=S)Nc2ccc(c( c2)\C=N\OC(C)(C)C)Cl |
N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE; UC10 |
| 38334 |  UC3 CHEMBL440510 DB08681 ZINC000003870524 |
1 | C14 H18 Cl N O3 S | InChI=1S/C14H18ClNO3S/c1- 8(2)18-13(17)11-7-10(5-6- 12(11)15)16-14(20)19-9(3) 4/h5-9H,1-4H3,(H,16,20); AXTNFJKQZPETJA-UHFFFAOYSA-N |
CC(C)OC(=S)Nc1ccc(Cl)c(c1)C(=O)OC(C)C; O =C(OC(C)C)c1cc(ccc1Cl)NC(=S)OC(C)C; CC(C )OC(=O)c1cc(ccc1Cl)NC(=S)OC(C)C |
1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE; UC38 |
| 38335 |  UC4 CHEMBL190729 DB08682 ZINC000001492540 |
1 | C16 H18 Cl N O4 S | InChI=1S/C16H18ClNO4S/c1- 9(2)22-16(20)12-8-11(4-5- 13(12)17)18-15(19)14-10(3 )21-6-7-23-14/h4-5,8-9H,6 -7H2,1-3H3,(H,18,19); FMQGUMRNTBJHEA-UHFFFAOYSA-N |
CC(C)OC(=O)c1cc(NC(=O)C2=C(C)OCCS2)ccc1C l; O=C(C=1SCCOC=1C)Nc2cc(C(=O)OC(C)C)c(C l)cc2; CC1=C(SCCO1)C(=O)Nc2ccc(c(c2)C(=O )OC(C)C)Cl |
1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE; UC84 |
| 38336 |  UC5 CHEMBL1236535 |
1 | C10 H16 N2 O10 P2 | InChI=1S/C10H16N2O10P2/c1 3-6-3-9(12-2-1-8(14)11-10 (12)15)22-7(6)4-21-24(19, 20)5-23(16,17)18/h1-2,6-7 ,9,13H,3-5H2,(H,19,20)(H, 11,14,15)(H2,16,17,18)/t6 -,7+,9+/m0/s1; MYBNSHXDOWMNJH-LKEWCRSYSA-N |
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO [P@](=O)(CP(=O)(O)O)O)O; O[CH]1C[CH](O[C H]1CO[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC 2=O; C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(CP (=O)(O)O)O)O; O[C@H]1C[C@@H](O[C@@H]1CO[ P@](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O; O=P(O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C= C1)CC2O |
2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE |
| 38337 |  UC6 |
1 | C6 H10 O5 | InChI=1S/C6H10O5/c7-1-4-6 (10)5(9)3(8)2-11-4/h3-4,6 -8,10H,1-2H2; TWOSIGGTFLLPLQ-UHFFFAOYSA-N |
C1[C@H](C(=O)[C@H]([C@@H](O1)CO)O)O; OC1 C(CO)OCC(O)C1=O; OC[C@@H]1OC[C@@H](O)C(= O)[C@H]1O; OC[CH]1OC[CH](O)C(=O)[CH]1O; C1C(C(=O)C(C(O1)CO)O)O |
1,5-anhydro-D-ribo-hex-3-ulose |
| 38338 |  UC7 CHEMBL1472131 ZINC000004344110 |
1 | C20 H24 N2 O2 | InChI=1S/C20H24N2O2/c1-3- 5-12-21-17-11-10-16-18-14 (17)8-7-9-15(18)19(23)22( 20(16)24)13-6-4-2/h7-11,2 1H,3-6,12-13H2,1-2H3; DXWHZJXKTHGHQF-UHFFFAOYSA-N |
CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC; CC CCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23; O= C1c2ccc(NCCCC)c3cccc(C(=O)N1CCCC)c32 |
2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| 38339 |  UC8 |
1 | C35 H36 N6 O3 | InChI=1S/C35H36N6O3/c1-3- 32(42)38-27-13-14-30-31(2 0-27)41(35(44)39-30)28-15 -17-40(18-16-28)22-23-9-1 1-25(12-10-23)33-29(24-7- 5-4-6-8-24)19-26(21-37-33 )34(43)36-2/h4-14,19-21,2 8H,3,15-18,22H2,1-2H3,(H, 36,43)(H,38,42)(H,39,44); DHCFQGXSUHCKEE-UHFFFAOYSA-N |
CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)C c4ccc(cc4)c5c(cc(cn5)C(=O)NC)c6ccccc6; C CC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc 4)c5ncc(cc5c6ccccc6)C(=O)NC)c2c1 |
~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide |
| 38340 |  UC9 |
1 | C24 H22 N4 O4 | InChI=1S/C24H22N4O4/c1-3- 19-17(22(25)28-24(26)27-1 9)9-4-13(2)16-10-18(21-20 (11-16)31-12-32-21)14-5-7 -15(8-6-14)23(29)30/h5-8, 10-11,13H,3,12H2,1-2H3,(H ,29,30)(H4,25,26,27,28)/t 13-/m1/s1; NQHZOWBSMCFILX-CYBMUJFWSA-N |
CCc1nc(N)nc(N)c1C#C[CH](C)c2cc3OCOc3c(c2 )c4ccc(cc4)C(O)=O; CCc1nc(N)nc(N)c1C#C[C @@H](C)c2cc3OCOc3c(c2)c4ccc(cc4)C(O)=O; CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(c3c(c2)OCO 3)c4ccc(cc4)C(=O)O; c4(CC)c(C#CC(c2cc1OC Oc1c(c2)c3ccc(cc3)C(=O)O)C)c(nc(n4)N)N; CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c 2)OCO3)c4ccc(cc4)C(=O)O |
4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}benzoic acid |
| 38341 |  UCA ZINC000219083543 |
1 | C34 H52 N7 O19 P3 S | InChI=1S/C34H52N7O19P3S/c 1-33(2,28(47)31(48)37-11- 9-23(44)36-12-13-64-24(45 )7-4-18-19-5-6-22(43)34(1 9,3)10-8-20(18)42)15-57-6 3(54,55)60-62(52,53)56-14 -21-27(59-61(49,50)51)26( 46)32(58-21)41-17-40-25-2 9(35)38-16-39-30(25)41/h1 6-19,21,26-28,32,46-47H,4 -15H2,1-3H3,(H,36,44)(H,3 7,48)(H,52,53)(H,54,55)(H 2,35,38,39)(H2,49,50,51)/ t18-,19-,21+,26+,27+,28-, 32+,34-/m0/s1; IWNWMTZIJPUDPV-MDQHZGBLSA-N |
O=C1CCC2C1(C)CCC(=O)C2CCC(=O)SCCNC(=O)CC NC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC5 OC(n4cnc3c(ncnc34)N)C(O)C5OP(=O)(O)O; CC (C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]( [CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc2 3)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CC[CH]4[C H]5CCC(=O)[C]5(C)CCC4=O; CC(C)(CO[P](O)( =O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@ @H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H] (O)C(=O)NCCC(=O)NCCSC(=O)CC[C@H]4[C@@H]5 CCC(=O)[C@@]5(C)CCC4=O; CC12CCC(=O)C(C1C CC2=O)CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)C OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4n cnc5N)O)OP(=O)(O)O)O; C[C@]12CCC(=O)[C@H ]([C@@H]1CCC2=O)CCC(=O)SCCNC(=O)CCNC(=O) [C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H ]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O )OP(=O)(O)O)O |
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3aS,4S,7aS)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate; HIP-CoA |
| 38342 |  UCB |
0 | C29 H37 Cl2 N2 O2 | InChI=1S/C29H36Cl2N2O2/c1 -2-33(19-20-7-5-3-4-6-8-2 0)15-13-23(14-16-33)32-29 (34)28-24-17-21(30)9-11-2 6(24)35-27-12-10-22(31)18 -25(27)28/h9-12,17-18,20, 23,28H,2-8,13-16,19H2,1H3 /p+1/t23-,33-; ZTXGBIXSMSZDOC-ZOKJZWPRSA-O |
CC[N+]1(CC[CH](CC1)NC(=O)[CH]2c3cc(Cl)cc c3Oc4ccc(Cl)cc24)CC5CCCCCC5; CC[N+]1(CCC (CC1)NC(=O)C2c3cc(ccc3Oc4c2cc(cc4)Cl)Cl) CC5CCCCCC5; CC[N@@+]1(CC[C@@H](CC1)NC(=O )[C@H]2c3cc(Cl)ccc3Oc4ccc(Cl)cc24)CC5CCC CCC5; Clc5cc2c(Oc1ccc(Cl)cc1C2C(=O)NC4CC [N+](CC)(CC3CCCCCC3)CC4)cc5 |
1-(CYCLOHEPTYLMETHYL)-4-{[(2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL]AMINO}-1-ETHYLPIPERIDINIUM; UCB35625 |
| 38343 |  UCC ZINC000096095622 |
2 | C32 H56 N7 O17 P3 S | InChI=1S/C32H56N7O17P3S/c 1-4-5-6-7-8-9-10-11-12-23 (41)60-16-15-34-22(40)13- 14-35-30(44)27(43)32(2,3) 18-53-59(50,51)56-58(48,4 9)52-17-21-26(55-57(45,46 )47)25(42)31(54-21)39-20- 38-24-28(33)36-19-37-29(2 4)39/h19-21,25-27,31,42-4 3H,4-18H2,1-3H3,(H,34,40) (H,35,44)(H,48,49)(H,50,5 1)(H2,33,36,37)(H2,45,46, 47)/t21-,25-,26-,27+,31-/ m1/s1; IZWCGXGZGYKDHR-GRBGHKMPSA-N |
CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C (C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn c23; CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C (C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2 cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCCCCCCC (=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(= O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H ](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCC CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C) (C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H] ([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)n cnc23; O=C(CCCCCCCCCC)SCCNC(=O)CCNC(=O)C (C(C)(C)COP(=O)(O)OP(O)(OCC1OC(C(C1OP(O) (O)=O)O)n2cnc3c2ncnc3N)=O)O |
S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate; undecanoyl coenzyme A |
| 38344 |  UCD |
0 | C14 H21 N O11 | InChI=1S/C14H21NO11/c1-4( 17)15-8-11(10(20)7(3-16)2 4-13(8)23)26-14-9(19)5(18 )2-6(25-14)12(21)22/h2,5, 7-11,13-14,16,18-20,23H,3 H2,1H3,(H,15,17)(H,21,22) /t5-,7+,8+,9+,10-,11+,13+ ,14-/m0/s1; DLGJWSVWTWEWBJ-MUODBDBBSA-N |
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[ C@@H]1O[C@@H]2OC(=C[C@H](O)[C@H]2O)C(O)= O; CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[C H]1O[CH]2OC(=C[CH](O)[CH]2O)C(O)=O; CC(= O)NC1C(C(C(OC1O)CO)O)OC2C(C(C=C(O2)C(=O) O)O)O; O=C(O)C=2OC(OC1C(O)C(OC(O)C1NC(=O )C)CO)C(O)C(O)C=2; CC(=O)N[C@@H]1[C@H]([ C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([ C@H](C=C(O2)C(=O)O)O)O |
(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-DIHYDROXY-5 ,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID; 4-DEOXY-L-THREO-HEX-4-ENOPYRANOSYLURONIC ACID-(1,3)-N-ACETYL-D-GALACTOSAMINE; UNSATURATED CHONDROITIN DISACCHARIDE |
| 38345 |  UCE |
1 | C34 H35 N5 O3 | InChI=1S/C34H35N5O3/c1-2- 32(41)36-27-12-13-30-31(1 9-27)39(34(42)37-30)28-14 -16-38(17-15-28)21-23-8-1 0-26(11-9-23)33-29(18-24( 22-40)20-35-33)25-6-4-3-5 -7-25/h3-13,18-20,28,40H, 2,14-17,21-22H2,1H3,(H,36 ,41)(H,37,42); XYDKMXKWNYYJAT-UHFFFAOYSA-N |
CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(c c4)c5ncc(CO)cc5c6ccccc6)c2c1; CCC(=O)Nc1 ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4) c5c(cc(cn5)CO)c6ccccc6 |
~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide |
| 38346 |  UCF |
1 | C33 H38 Cl N O8 S | InChI=1S/C33H38ClNO8S/c1- 4-24(29-15-16-30(34)44-29 )32(38)35-17-6-5-10-25(35 )33(39)43-26(22-8-7-9-23( 19-22)42-20-31(36)37)13-1 1-21-12-14-27(40-2)28(18- 21)41-3/h7-9,12,14-16,18- 19,24-26H,4-6,10-11,13,17 ,20H2,1-3H3,(H,36,37)/t24 -,25+,26-/m1/s1; SRIRUOTUARWLRH-UODIDJSMSA-N |
CC[CH](C(=O)N1CCCC[CH]1C(=O)O[CH](CCc2cc c(OC)c(OC)c2)c3cccc(OCC(O)=O)c3)c4sc(Cl) cc4; CC[C@H](c1ccc(s1)Cl)C(=O)N2CCCC[C@H ]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc( c4)OCC(=O)O; CC[C@@H](C(=O)N1CCCC[C@H]1C (=O)O[C@H](CCc2ccc(OC)c(OC)c2)c3cccc(OCC (O)=O)c3)c4sc(Cl)cc4; CCC(c1ccc(s1)Cl)C( =O)N2CCCCC2C(=O)OC(CCc3ccc(c(c3)OC)OC)c4 cccc(c4)OCC(=O)O |
2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
| 38347 |  UCG ZINC000222071831 |
8 | C19 H24 N7 O18 P3 | InChI=1S/C19H24N7O18P3/c2 0-18-23-14-9(15(29)24-18) 21-5-26(14)17-13-12(43-47 (36,37)44-13)7(41-17)4-39 -46(34,35)42-11-6(3-38-45 (31,32)33)40-16(10(11)28) 25-2-1-8(27)22-19(25)30/h 1-2,5-7,10-13,16-17,28H,3 -4H2,(H,34,35)(H,36,37)(H ,22,27,30)(H2,31,32,33)(H 3,20,23,24,29)/t6-,7-,10- ,11-,12-,13-,16-,17-/m1/s 1; UIVVUPHFWRPLKC-VMIOUTBZSA-N |
c1nc2c(n1C3C4C(C(O3)COP(=O)(O)OC5C(OC(C5 O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4) O)N=C(NC2=O)N; O=P(O)(O)OCC6OC(N1C=CC(=O )NC1=O)C(O)C6OP(=O)(O)OCC4OC(n2c3N=C(N)N C(=O)c3nc2)C5OP(=O)(O)OC45; c1nc2c(n1[C@ H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@ H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O )COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N; NC 1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(= O)O[CH]4[CH](O)[CH](O[CH]4CO[P](O)(O)=O) N5C=CC(=O)NC5=O)[CH]6O[P](O)(=O)O[CH]36; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P ](O)(=O)O[C@H]4[C@@H](O)[C@@H](O[C@@H]4C O[P](O)(O)=O)N5C=CC(=O)NC5=O)[C@H]6O[P]( O)(=O)O[C@@H]36 |
3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate) |
| 38348 |  UCH ZINC000004482410 |
3 | C11 H14 N2 O2 | InChI=1S/C11H14N2O2/c14-1 1(15)9-3-7-13(8-4-9)10-1- 5-12-6-2-10/h1-2,5-6,9H,3 -4,7-8H2,(H,14,15); UISWRUUBFFHGLE-UHFFFAOYSA-N |
c1cnccc1N2CCC(CC2)C(=O)O; OC(=O)C1CCN(CC 1)c2ccncc2 |
1-pyridin-4-ylpiperidine-4-carboxylic acid |
| 38349 |  UCI |
8 | C21 H23 F3 N2 O4 S | InChI=1S/C21H23F3N2O4S/c1 -2-31(28,29)26-13-16(15-6 -4-3-5-7-15)12-17(14-26)2 0(27)25-18-8-10-19(11-9-1 8)30-21(22,23)24/h3-11,16 -17H,2,12-14H2,1H3,(H,25, 27)/t16-,17-/m1/s1; BGPUEQUEKKTRNM-IAGOWNOFSA-N |
CC[S](=O)(=O)N1C[CH](C[CH](C1)c2ccccc2)C (=O)Nc3ccc(OC(F)(F)F)cc3; CC[S](=O)(=O)N 1C[C@@H](C[C@H](C1)c2ccccc2)C(=O)Nc3ccc( OC(F)(F)F)cc3; CCS(=O)(=O)N1C[C@@H](C[C@ H](C1)C(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccccc3 ; CCS(=O)(=O)N1CC(CC(C1)C(=O)Nc2ccc(cc2) OC(F)(F)F)c3ccccc3; O=S(=O)(CC)N1CC(CC(C 1)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 |
(3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form) |
| 38350 |  UCJ ZINC000001565221 |
5 | C4 H11 O3 P | InChI=1S/C4H11O3P/c1-4(2) 7-8(3,5)6/h4H,1-3H3,(H,5, 6); GHZKGHQGPXBWSN-UHFFFAOYSA-N |
O=P(OC(C)C)(O)C; CC(C)O[P](C)(O)=O; CC(C )OP(=O)(C)O |
propan-2-yl hydrogen (S)-methylphosphonate |
| 38351 |  UCK ZINC000095920807 |
4 | C19 H18 Cl2 N2 O3 | InChI=1S/C19H18Cl2N2O3/c2 0-13-7-5-12(6-8-13)10-22- 18(25)17-9-14(24)11-23(17 )19(26)15-3-1-2-4-16(15)2 1/h1-8,14,17,24H,9-11H2,( H,22,25)/t14-,17+/m1/s1; POSPLUDREYFAQC-PBHICJAKSA-N |
O[CH]1C[CH](N(C1)C(=O)c2ccccc2Cl)C(=O)NC c3ccc(Cl)cc3; c1ccc(c(c1)C(=O)N2CC(CC2C( =O)NCc3ccc(cc3)Cl)O)Cl; c1ccc(c(c1)C(=O) N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)Cl)O)C l; O=C(c1ccccc1Cl)N3C(C(=O)NCc2ccc(Cl)cc 2)CC(O)C3; O[C@@H]1C[C@H](N(C1)C(=O)c2cc ccc2Cl)C(=O)NCc3ccc(Cl)cc3 |
(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 38352 |  UCL CHEMBL1236538 |
0 | C9 H12 Cl N2 O8 P | InChI=1S/C9H12ClN2O8P/c10 -4-2-12(9(15)11-8(4)14)7- 1-5(13)6(20-7)3-19-21(16, 17)18/h2,5-7,13H,1,3H2,(H ,11,14,15)(H2,16,17,18)/t 5-,6+,7+/m0/s1; RBQXEHDSKLSKLJ-RRKCRQDMSA-N |
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C l)COP(=O)(O)O)O; O[C@H]1C[C@@H](O[C@@H]1 CO[P](O)(O)=O)N2C=C(Cl)C(=O)NC2=O; C1C(C (OC1N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)O)O; C lC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O) (O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2 C=C(Cl)C(=O)NC2=O |
5-CHLORO-2'-DEOXYURIDINE 5'-(DIHYDROGEN PHOSPHATE) |
| 38353 |  UCM CHEMBL289422 DB08683 ZINC000018183490 |
1 | C24 H15 N3 O3 | InChI=1S/C24H15N3O3/c28-2 3-19-17-11-5-1-3-7-13(11) 26-15-9-10-16(30-15)27-14 -8-4-2-6-12(14)18(22(27)2 1(17)26)20(19)24(29)25-23 /h1-8,15-16H,9-10H2,(H,25 ,28,29)/t15-,16+; OTPNDVKVEAIXTI-IYBDPMFKSA-N |
O=C1NC(=O)c2c1c3c4ccccc4n5[C@H]6CC[C@H]( O6)n7c8ccccc8c2c7c35; O=C1NC(=O)c2c1c3c4 ccccc4n5[CH]6CC[CH](O6)n7c8ccccc8c2c7c35 ; O=C5c4c2c3n(c1ccccc12)C8OC(n6c3c(c4C(= O)N5)c7ccccc67)CC8; c1ccc2c(c1)c3c4c(c5c 6ccccc6n7c5c3n2[C@H]8CC[C@@H]7O8)C(=O)NC 4=O; c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2 C8CCC7O8)C(=O)NC4=O |
REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE; SB218078 |
| 38354 |  UCN CHEMBL1236539 DB01933 ZINC000003814435 |
5 | C28 H26 N4 O4 | InChI=1S/C28H26N4O4/c1-28 -25(35-3)15(29-2)12-18(36 -28)31-16-10-6-4-8-13(16) 19-21-22(27(34)30-26(21)3 3)20-14-9-5-7-11-17(14)32 (28)24(20)23(19)31/h4-11, 15,18,25,27,29,34H,12H2,1 -3H3,(H,30,33)/t15-,18-,2 5-,27-,28+/m1/s1; PBCZSGKMGDDXIJ-HQCWYSJUSA-N |
CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c 5c6[CH](O)NC(=O)c6c7c8ccccc8n2c7c35; O=C 5NC(O)c4c2c3n(c1ccccc12)C8(OC(n6c3c(c45) c7ccccc67)CC(NC)C8OC)C; C[C@@]12[C@@H]([ C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccc cc7c6c8c5C(=O)N[C@@H]8O)NC)OC; CN[C@@H]1 C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c 6[C@@H](O)NC(=O)c6c7c8ccccc8n2c7c35; CC1 2C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c 8c5C(=O)NC8O)NC)OC |
7-HYDROXYSTAUROSPORINE |
| 38355 |  UCO |
1 | C40 H44 Cl N O11 S | InChI=1S/C40H44ClNO11S/c1 -47-30-15-13-24(19-31(30) 48-2)12-14-29(25-9-8-10-2 7(20-25)52-23-36(43)44)53 -40(46)28-11-6-7-18-42(28 )39(45)37(34-16-17-35(41) 54-34)26-21-32(49-3)38(51 -5)33(22-26)50-4/h8-10,13 ,15-17,19-22,28-29,37H,6- 7,11-12,14,18,23H2,1-5H3, (H,43,44)/t28-,29+,37+/m0 /s1; DJMQVDNYVWNBAD-DBWZWNDFSA-N |
COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)O)OC( =O)C3CCCCN3C(=O)C(c4ccc(s4)Cl)c5cc(c(c(c 5)OC)OC)OC; COc1ccc(cc1OC)CC[C@H](c2cccc (c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@ @H](c4ccc(s4)Cl)c5cc(c(c(c5)OC)OC)OC; CO c1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH]( c3sc(Cl)cc3)c4cc(OC)c(OC)c(OC)c4)c5cccc( OCC(O)=O)c5)cc1OC; COc1ccc(CC[C@@H](OC(= O)[C@@H]2CCCCN2C(=O)[C@@H](c3sc(Cl)cc3)c 4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)c c1OC |
2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
| 38356 |  UCP ZINC000058639056 |
0 | C10 H17 N2 O13 P3 | InChI=1S/C10H17N2O13P3/c1 3-6-3-9(12-2-1-8(14)11-10 (12)15)24-7(6)4-23-28(21, 22)25-27(19,20)5-26(16,17 )18/h1-2,6-7,9,13H,3-5H2, (H,19,20)(H,21,22)(H,11,1 4,15)(H2,16,17,18)/t6-,7+ ,9+/m0/s1; LXPTZNQPTTZWKK-LKEWCRSYSA-N |
C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O )(CP(=O)(O)O)O)O; C1[C@@H]([C@H](O[C@H]1 N2C=CC(=O)NC2=O)CO[P@](=O)(O)O[P@@](=O)( CP(=O)(O)O)O)O; O[CH]1C[CH](O[CH]1CO[P]( O)(=O)O[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O) NC2=O; O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O) (=O)O[P@@](O)(=O)C[P](O)(O)=O)N2C=CC(=O) NC2=O; O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC2OC (N1C(=O)NC(=O)C=C1)CC2O |
PHOSPHOMETHYL PHOSPHONIC ACID DEOXYURIDYLATE ESTER |
| 38357 |  UCQ |
4 | C9 H15 N3 O2 | InChI=1S/C9H15N3O2/c1-11( 2)8(9(13)14)4-7-5-10-6-12 (7)3/h5-6,8H,4H2,1-3H3,(H ,13,14)/t8-/m0/s1; CWMBQCIYEIIZOY-QMMMGPOBSA-N |
Cn1cncc1CC(C(=O)O)N(C)C; CN(C)[C@@H](Cc1 cncn1C)C(O)=O; Cn1cncc1C[C@@H](C(=O)O)N( C)C; CN(C)[CH](Cc1cncn1C)C(O)=O |
(2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid |
| 38358 |  UCR |
0 | C74 H90 F N13 O16 | InChI=1S/C74H90FN13O16/c1 -43(2)65-48(26-27-60(92)7 6-29-12-17-44(3)35-52(90) 38-49(75)39-61-78-54(42-1 02-61)70(97)87-33-16-24-5 6(87)73(100)104-65)37-50- 41-85(83-82-50)31-14-22-5 3-69(96)86-32-15-23-55(86 )71(98)84(5)58(36-46-18-8 -6-9-19-46)72(99)88-34-28 -51(89)40-57(88)66(93)81- 63(47-20-10-7-11-21-47)74 (101)103-45(4)62(67(94)79 -53)80-68(95)64-59(91)25- 13-30-77-64/h6-13,17-21,2 5-27,30,35,41-43,45,48-49 ,51-53,55-58,62-63,65,89- 91H,14-16,22-24,28-29,31- 34,36-40H2,1-5H3,(H,76,92 )(H,79,94)(H,80,95)(H,81, 93)/b17-12+,27-26+,44-35+ /t45-,48+,49-,51-,52-,53- ,55+,56-,57+,58+,62+,63+, 65-/m1/s1; VRKSHVRYRFYAGE-KRRCSSGUSA-N |
O=C1NCC=CC(C)=CC(O)CC(F)Cc2nc(co2)C(=O)N 2CCCC2C(=O)OC(C(C)C)C(C=C1)Cc1cn(nn1)CCC C1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC (=O)C2CC(O)CCN2C(=O)C(Cc2ccccc2)N(C)C(=O )C2CCCN2C1=O)c1ccccc1; CC1C(C(=O)NC(C(=O )N2CCCC2C(=O)N(C(C(=O)N3CCC(CC3C(=O)NC(C (=O)O1)c4ccccc4)O)Cc5ccccc5)C)CCCn6cc(nn 6)CC7C=CC(=O)NCC=CC(=CC(CC(Cc8nc(co8)C(= O)N9CCCC9C(=O)OC7C(C)C)F)O)C)NC(=O)c1c(c ccn1)O; C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O )N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CC[C@H]( C[C@H]3C(=O)N[C@H](C(=O)O1)c4ccccc4)O)Cc 5ccccc5)C)CCCn6cc(nn6)C[C@@H]7/C=C/C(=O) NC/C=C/C(=C/[C@H](C[C@H](Cc8nc(co8)C(=O) N9CCC[C@@H]9C(=O)O[C@@H]7C(C)C)F)O)/C)NC (=O)c1c(cccn1)O; CC(C)[C@H]1OC(=O)[C@H]2 CCCN2C(=O)c3coc(C[C@H](F)C[C@H](O)/C=C(C )/C=C/CNC(=O)/C=C/[C@H]1Cc4cn(CCC[C@H]5N C(=O)[C@@H](NC(=O)c6ncccc6O)[C@@H](C)OC( =O)[C@@H](NC(=O)[C@@H]7C[C@H](O)CCN7C(=O )[C@H](Cc8ccccc8)N(C)C(=O)[C@@H]9CCCN9C5 =O)c%10ccccc%10)nn4)n3; CC(C)[CH]1OC(=O) [CH]2CCCN2C(=O)c3coc(C[CH](F)C[CH](O)C=C (C)C=CCNC(=O)C=C[CH]1Cc4cn(CCC[CH]5NC(=O )[CH](NC(=O)c6ncccc6O)[CH](C)OC(=O)[CH]( NC(=O)[CH]7C[CH](O)CCN7C(=O)[CH](Cc8cccc c8)N(C)C(=O)[CH]9CCCN9C5=O)c%10ccccc%10) nn4)n3 |
N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[3-(4-{[(3R,4R,5E,10E,12E,14S,16R,23R,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)propyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide |
| 38359 |  UCS |
0 | C22 H33 N3 O7 S | InChI=1S/C22H33N3O7S/c1-1 4(2)11-17(25-22(29)32-13- 15-7-5-4-6-8-15)20(27)24- 18(21(28)33(3,30)31)12-16 -9-10-23-19(16)26/h4-8,14 ,16-18,21,28H,3,9-13H2,1- 2H3,(H,23,26)(H,24,27)(H, 25,29)(H,30,31)/t16-,17-, 18-,21+/m0/s1; WSISUQMDONQTEG-RYLXDESZSA-N |
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=C)(=O) O)NC(=O)OCc2ccccc2; c1ccccc1COC(NC(C(=O) NC(C(O)S(=O)(O)=C)CC2CCNC2=O)CC(C)C)=O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1= O)[C@H](O)S(=C)(=O)O)NC(=O)OCc2ccccc2; C C(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H] (C[C@@H]2CCNC2=O)[C@H](O)[S](O)(=C)=O; C C(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C[ CH]2CCNC2=O)[CH](O)[S](O)(=C)=O |
N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(trimethyl-lambda~4~-sulfanyl)propan-2-yl]-L-leucinamide |
| 38360 |  UCT |
1 | C32 H36 Cl N O8 S | InChI=1S/C32H36ClNO8S/c1- 20(28-14-15-29(33)43-28)3 1(37)34-16-5-4-9-24(34)32 (38)42-25(22-7-6-8-23(18- 22)41-19-30(35)36)12-10-2 1-11-13-26(39-2)27(17-21) 40-3/h6-8,11,13-15,17-18, 20,24-25H,4-5,9-10,12,16, 19H2,1-3H3,(H,35,36)/t20- ,24+,25-/m1/s1; OIYSSIJKGXDGIE-DCEDVJGZSA-N |
C[C@H](c1ccc(s1)Cl)C(=O)N2CCCC[C@H]2C(=O )O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC (=O)O; CC(c1ccc(s1)Cl)C(=O)N2CCCCC2C(=O) OC(CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O ; COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[ CH](C)c3sc(Cl)cc3)c4cccc(OCC(O)=O)c4)cc1 OC; COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2 C(=O)[C@H](C)c3sc(Cl)cc3)c4cccc(OCC(O)=O )c4)cc1OC |
2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
| 38361 |  UCU ZINC000001693559 |
1 | C4 H8 O3 | InChI=1S/C4H8O3/c1-2-3(5) 4(6)7/h3,5H,2H2,1H3,(H,6, 7)/t3-/m1/s1; AFENDNXGAFYKQO-GSVOUGTGSA-N |
CC[C@H](C(=O)O)O; CC[CH](O)C(O)=O; CC[C@ @H](O)C(O)=O; CCC(C(=O)O)O |
(2R)-2-oxidanylbutanoic acid; (R)-2-Hydroxybutanoic acid |
| 38362 |  UCV |
0 | C6 H15 N3 O | InChI=1S/C6H15N3O/c1-4(2) 5(7)3-9-6(8)10/h4-5H,3,7H 2,1-2H3,(H3,8,9,10)/t5-/m 1/s1; GGSMGRSJKQIKLL-RXMQYKEDSA-N |
CC(C)C(CNC(=O)N)N; CC(C)[C@H](N)CNC(N)=O ; CC(C)[C@@H](CNC(=O)N)N; CC(C)[CH](N)CN C(N)=O |
1-[(2~{S})-2-azanyl-3-methyl-butyl]urea |
| 38363 |  UCW CHEMBL3824089 ZINC000653884606 |
1 | C26 H38 N8 O3 | InChI=1S/C26H38N8O3/c1-26 (2,3)37-25(35)30-19-8-7-1 7(15-20(19)36-6)22-21-23( 27)28-16-29-24(21)34(31-2 2)14-13-33-11-9-18(10-12- 33)32(4)5/h7-8,15-16,18H, 9-14H2,1-6H3,(H,30,35)(H2 ,27,28,29); GMPQGWXPDRNCBL-UHFFFAOYSA-N |
CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n( n2)CCN4CCC(CC4)N(C)C)N; COc1cc(ccc1NC(=O )OC(C)(C)C)c2nn(CCN3CCC(CC3)N(C)C)c4ncnc (N)c24 |
tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate; ~{tert}-butyl ~{N}-[4-[4-azanyl-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]carbamate |
| 38364 |  UCX |
0 | C30 H38 F N3 O6 | InChI=1S/C30H38FN3O6/c1-5 -8-21-11-12-26(36)32-13-6 -9-20(4)15-23(35)16-22(31 )17-27-33-24(18-39-27)29( 37)34-14-7-10-25(34)30(38 )40-28(21)19(2)3/h1,6,9,1 1-12,15,18-19,21-23,25,28 ,35H,7-8,10,13-14,16-17H2 ,2-4H3,(H,32,36)/b9-6+,12 -11+,20-15+/t21-,22-,23-, 25-,28-/m1/s1; ZFRIDGLVADEYAZ-CLECSTCYSA-N |
CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[C H](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC# C)n3; CC(C)[C@H]1OC(=O)[C@H]2CCCN2C(=O)c 3coc(C[C@H](F)C[C@H](O)/C=C(C)/C=C/CNC(= O)/C=C/[C@H]1CC#C)n3; CC1=CC(CC(Cc2nc(co 2)C(=O)N3CCCC3C(=O)OC(C(C=CC(=O)NCC=C1)C C#C)C(C)C)F)O; C/C/1=C\[C@H](C[C@H](Cc2n c(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@ H](/C=C/C(=O)NC\C=C1)CC#C)C(C)C)F)O; CC( C)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O )C=C(C)C=CCNC(=O)C=CC1CC#C |
(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-yn-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione |
| 38365 |  UCY |
4 | C8 H17 O2 P | InChI=1S/C8H17O2P/c1-8(2) 6-4-5-7(8)10-11(3)9/h7,11 H,4-6H2,1-3H3/t7-/m0/s1; GJIHMVVDUGLKHR-ZETCQYMHSA-N |
CC1(CCCC1OP(=O)C)C; CC1(CCC[C@@H]1O[P@H] (=O)C)C; C[PH](=O)O[CH]1CCCC1(C)C; C[P@H ](=O)O[C@H]1CCCC1(C)C; CP(=O)OC1C(C)(CCC 1)C |
(1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate; 2,2-dimethylcyclopentyl methylphosphinate |
| 38366 |  UCZ CHEMBL261837 ZINC000005353901 |
1 | C15 H18 Cl N3 O | InChI=1S/C15H18ClN3O/c1-1 5(2,3)14(20)13(19-10-17-9 -18-19)8-11-4-6-12(16)7-5 -11/h4-10,14,20H,1-3H3/b1 3-8+/t14-/m1/s1; YNWVFADWVLCOPU-MAUPQMMJSA-N |
CC(C)(C)[C@H](O)\C(=C/c1ccc(Cl)cc1)n2cnc n2; CC(C)(C)C(C(=Cc1ccc(cc1)Cl)n2cncn2)O ; CC(C)(C)[C@@H](/C(=C\c1ccc(cc1)Cl)/n2c ncn2)O; CC(C)(C)[CH](O)C(=Cc1ccc(Cl)cc1) n2cncn2; CC(C)(C)C(C(n1cncn1)=[C@H]c2ccc (cc2)Cl)O |
(1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol |
| 38367 |  UD0 ZINC000263620550 |
4 | C25 H34 N5 O22 P3 | InChI=1S/C25H34N5O22P3/c1 -9-17(33)12(11(5-26-9)7-4 7-53(40,41)42)6-27-15-16( 28-10(2)31)24(50-21(19(15 )35)23(37)38)51-55(45,46) 52-54(43,44)48-8-13-18(34 )20(36)22(49-13)30-4-3-14 (32)29-25(30)39/h3-6,13,1 5-16,18-22,24,33-36H,7-8H 2,1-2H3,(H,28,31)(H,37,38 )(H,43,44)(H,45,46)(H,29, 32,39)(H2,40,41,42)/b27-6 +/t13-,15+,16+,18-,19-,20 -,21-,22+,24+/m0/s1; IGKBPIFLZAFLLV-VUZHIUKYSA-N |
CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H](O)[C@@ H]1N=Cc2c(O)c(C)ncc2CO[P](O)(O)=O)C(O)=O )O[P](O)(=O)O[P](O)(=O)OC[C@@H]3O[C@H]([ C@@H](O)[C@H]3O)N4C=CC(=O)NC4=O; Cc1c(c( c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O)C(=O)O )OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(= O)NC4=O)O)O)NC(=O)C)O; Cc1c(c(c(cn1)COP( =O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]( [C@H]2O)C(=O)O)O[P@](=O)(O)O[P@@](=O)(O) OC[C@H]3[C@@H]([C@@H]([C@@H](O3)N4C=CC(= O)NC4=O)O)O)NC(=O)C)O; O=C1C=CN(C(=O)N1) C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC(C(=O)O )C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)(O)O)C4 NC(=O)C)O)O; CC(=O)N[CH]1[CH](O[CH]([CH] (O)[CH]1N=Cc2c(O)c(C)ncc2CO[P](O)(O)=O)C (O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH] ([CH](O)[CH]3O)N4C=CC(=O)NC4=O |
(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid |
| 38368 |  UD1 CHEMBL388154 DB03397 ZINC000008551100 |
236 | C17 H27 N3 O17 P2 | InChI=1S/C17H27N3O17P2/c1 -6(22)18-10-13(26)11(24)7 (4-21)35-16(10)36-39(31,3 2)37-38(29,30)33-5-8-12(2 5)14(27)15(34-8)20-3-2-9( 23)19-17(20)28/h2-3,7-8,1 0-16,21,24-27H,4-5H2,1H3, (H,18,22)(H,29,30)(H,31,3 2)(H,19,23,28)/t7-,8-,10- ,11-,12-,13-,14-,15-,16-/ m1/s1; LFTYTUAZOPRMMI-CFRASDGPSA-N |
CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2 C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; CC( =O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[ CH]2O)N3C=CC(=O)NC3=O; O=P(OC1OC(C(O)C(O )C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC( =O)NC2=O)C(O)C3O; CC(=O)N[C@@H]1[C@@H](O )[C@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O [P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H] 2O)N3C=CC(=O)NC3=O; CC(=O)N[C@@H]1[C@H]( [C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@] (=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3 C=CC(=O)NC3=O)O)O)CO)O)O |
URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE |
| 38369 |  UD2 DB02196 ZINC000008551132 |
57 | C17 H27 N3 O17 P2 | InChI=1S/C17H27N3O17P2/c1 -6(22)18-10-13(26)11(24)7 (4-21)35-16(10)36-39(31,3 2)37-38(29,30)33-5-8-12(2 5)14(27)15(34-8)20-3-2-9( 23)19-17(20)28/h2-3,7-8,1 0-16,21,24-27H,4-5H2,1H3, (H,18,22)(H,29,30)(H,31,3 2)(H,19,23,28)/t7-,8-,10- ,11+,12-,13-,14-,15-,16-/ m1/s1; LFTYTUAZOPRMMI-NESSUJCYSA-N |
CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2 C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; CC( =O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[ CH]2O)N3C=CC(=O)NC3=O; O=P(OC1OC(C(O)C(O )C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC( =O)NC2=O)C(O)C3O; CC(=O)N[C@@H]1[C@@H](O )[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O) O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H ]2O)N3C=CC(=O)NC3=O; CC(=O)N[C@@H]1[C@H] ([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@] (=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3 C=CC(=O)NC3=O)O)O)CO)O)O |
URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE; (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate |
| 38370 |  UD4 ZINC000056871102 |
2 | C17 H28 N4 O15 P2 | InChI=1S/C17H28N4O15P2/c1 -6-10(18)13(25)11(19-7(2) 22)16(33-6)35-38(30,31)36 -37(28,29)32-5-8-12(24)14 (26)15(34-8)21-4-3-9(23)2 0-17(21)27/h3-4,6,8,10-16 ,24-26H,5,18H2,1-2H3,(H,1 9,22)(H,28,29)(H,30,31)(H ,20,23,27)/t6-,8-,10-,11- ,12-,13+,14-,15-,16-/m1/s 1; FUUMLYWEEZBCQR-UINYWEPJSA-N |
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@ @](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H ]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C) O)N; CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC 2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O) N; C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[ CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O) [CH](NC(C)=O)[CH](O)[CH]1N; C[C@H]1O[C@H ](O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H ]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H] (NC(C)=O)[C@@H](O)[C@@H]1N; O=P(OC1OC(C( N)C(O)C1NC(=O)C)C)(O)OP(=O)(O)OCC3OC(N2C =CC(=O)NC2=O)C(O)C3O |
UDP-2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-glucopyranose; (2R,3R,4S,5S,6R)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl |
| 38371 |  UD5 ZINC000058649711 |
0 | C9 H12 F N2 O8 P | InChI=1S/C9H12FN2O8P/c10- 3-1-12(9(16)11-7(3)15)8-6 (14)5(13)4(20-8)2-19-21(1 7)18/h1,4-6,8,13-14,17-18 H,2H2,(H,11,15,16)/t4-,5- ,6-,8-/m1/s1; OWIMOOFVTCJDCZ-UAKXSSHOSA-N |
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C @H](O2)COP(O)O)O)O)F; O[CH]1[CH](O)[CH]( O[CH]1COP(O)O)N2C=C(F)C(=O)NC2=O; C1=C(C (=O)NC(=O)N1C2C(C(C(O2)COP(O)O)O)O)F; O[ C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)O)N2C =C(F)C(=O)NC2=O; FC=1C(=O)NC(=O)N(C=1)C2 OC(C(O)C2O)COP(O)O |
5-FLUOROURIDINE |
| 38372 |  UD6 ZINC000066166300 |
4 | C18 H28 N2 O17 P2 | InChI=1S/C18H28N2O17P2/c1 -7(22)4-8-12(24)13(25)9(5 -21)35-17(8)36-39(31,32)3 7-38(29,30)33-6-10-14(26) 15(27)16(34-10)20-3-2-11( 23)19-18(20)28/h2-3,8-10, 12-17,21,24-27H,4-6H2,1H3 ,(H,29,30)(H,31,32)(H,19, 23,28)/t8-,9-,10-,12-,13+ ,14-,15-,16-,17-/m1/s1; ODPRJDNNGDXFOQ-YIUJVFLPSA-N |
O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP (=O)(OC3OC(C(O)C(O)C3CC(=O)C)CO)O)O; CC( =O)C[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[ CH]2O)N3C=CC(=O)NC3=O; CC(=O)C[C@@H]1[C@ @H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P](O) (=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C @@H]2O)N3C=CC(=O)NC3=O; CC(=O)C[C@@H]1[C @H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)( O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC( =O)NC3=O)O)O)CO)O)O; CC(=O)CC1C(C(C(OC1O P(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O) NC3=O)O)O)CO)O)O |
[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate; UDP-2-ketoGlc |
| 38373 |  UD7 ZINC000056871098 |
2 | C17 H25 N3 O16 P2 | InChI=1S/C17H25N3O16P2/c1 -6-11(23)13(25)10(18-7(2) 21)16(33-6)35-38(30,31)36 -37(28,29)32-5-8-12(24)14 (26)15(34-8)20-4-3-9(22)1 9-17(20)27/h3-4,6,8,10,12 -16,24-26H,5H2,1-2H3,(H,1 8,21)(H,28,29)(H,30,31)(H ,19,22,27)/t6-,8-,10-,12- ,13-,14-,15-,16-/m1/s1; XBILTLYIKDPORV-HZUXRPHDSA-N |
C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH] 2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH ](NC(C)=O)[CH](O)C1=O; C[C@H]1O[C@H](O[P ](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H]( O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](NC(C)=O )[C@@H](O)C1=O; O=C1C=CN(C(=O)N1)C2OC(C( O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)C(O)C3NC (=O)C)C)O)O; C[C@@H]1C(=O)[C@@H]([C@H]([ C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H] ([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC( =O)C)O; CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O) (O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(= O)C)O |
|
| 38374 |  UD8 |
1 | C24 H36 N6 O6 S | InChI=1S/C24H36N6O6S/c1-2 4(2)35-21-16-29(15-20(31) 22(21)36-24)11-5-3-4-6-12 -30-14-18(27-28-30)13-26- 23(32)17-7-9-19(10-8-17)3 7(25,33)34/h7-10,14,20-22 ,31H,3-6,11-13,15-16H2,1- 2H3,(H,26,32)(H2,25,33,34 )/t20-,21+,22+/m1/s1; YZQOVKMHWZRLSA-FSSWDIPSSA-N |
CC1(OC2CN(CC(C2O1)O)CCCCCCn3cc(nn3)CNC(= O)c4ccc(cc4)S(=O)(=O)N)C; CC1(O[C@H]2CN( C[C@H]([C@@H]2O1)O)CCCCCCn3cc(nn3)CNC(=O )c4ccc(cc4)S(=O)(=O)N)C; CC1(C)O[C@H]2CN (CCCCCCn3cc(CNC(=O)c4ccc(cc4)[S](N)(=O)= O)nn3)C[C@@H](O)[C@@H]2O1; CC1(C)O[CH]2C N(CCCCCCn3cc(CNC(=O)c4ccc(cc4)[S](N)(=O) =O)nn3)C[CH](O)[CH]2O1 |
N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide; ~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide |
| 38375 |  UD9 ZINC000008551319 |
3 | C17 H27 N3 O17 P2 | InChI=1S/C17H27N3O17P2/c1 -6(22)18-10-13(26)11(24)7 (4-21)35-16(10)36-39(31,3 2)37-38(29,30)33-5-8-12(2 5)14(27)15(34-8)20-3-2-9( 23)19-17(20)28/h2-3,7-8,1 0-16,21,24-27H,4-5H2,1H3, (H,18,22)(H,29,30)(H,31,3 2)(H,19,23,28)/t7-,8-,10+ ,11-,12-,13-,14-,15-,16-/ m1/s1; LFTYTUAZOPRMMI-ZYQOOJPVSA-N |
CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2 C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; CC( =O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP( =O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@ H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; O=C1C= CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC (CO)C(O)C(O)C2NC(C)=O)C(O)C1O; CC(=O)N[C H]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(= O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O) N3C=CC(=O)NC3=O; CC(=O)N[C@H]1[C@@H](O)[ C@H](O)[C@@H](CO)O[C@@H]1O[P](O)(=O)O[P] (O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N 3C=CC(=O)NC3=O |
(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name); UDP-N-acetyl-alpha-D-mannosamine |
| 38376 |  UDA CHEMBL1236544 DB04174 ZINC000095543621 |
16 | C20 H32 N3 O23 P3 | InChI=1S/C20H32N3O23P3/c1 -7(25)21-11-15(43-20(2,18 (30)31)45-47(33,34)35)13( 28)8(5-24)42-17(11)44-49( 38,39)46-48(36,37)40-6-9- 12(27)14(29)16(41-9)23-4- 3-10(26)22-19(23)32/h3-4, 8-9,11-17,24,27-29H,5-6H2 ,1-2H3,(H,21,25)(H,30,31) (H,36,37)(H,38,39)(H,22,2 6,32)(H2,33,34,35)/t8-,9- ,11-,12-,13-,14-,15-,16-, 17-,20+/m1/s1; NLBIPGBVVPCESQ-BVDGEXFOSA-N |
CC(=O)N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C @@H]1O[C@@](C)(O[P](O)(O)=O)C(O)=O)O[P@] (O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H]( O)[C@@H]2O)N3C=CC(=O)NC3=O; O=P(OC1OC(C( O)C(OC(OP(=O)(O)O)(C(=O)O)C)C1NC(=O)C)CO )(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O) C3O; CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O )OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O C(C)(C(=O)O)OP(=O)(O)O; CC(=O)N[CH]1[CH] (O[CH](CO)[CH](O)[CH]1O[C](C)(O[P](O)(O) =O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O [CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O; CC(= O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P @@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C @H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O [C@](C)(C(=O)O)OP(=O)(O)O |
3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE |
| 38377 |  UDB ZINC000069059999 |
1 | C21 H30 F2 N4 O4 | InChI=1S/C21H30F2N4O4/c1- 21(2,3)18(25-20(30)24-16- 9-14(22)8-15(23)10-16)19( 29)27(12-17(28)26-31)11-1 3-6-4-5-7-13/h8-10,13,18, 31H,4-7,11-12H2,1-3H3,(H, 26,28)(H2,24,25,30)/t18-/ m1/s1; AJAVBMXPKQJMJH-GOSISDBHSA-N |
CC(C)(C)C(C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O )Nc2cc(cc(c2)F)F; CC(C)(C)[C@H](NC(=O)Nc 1cc(F)cc(F)c1)C(=O)N(CC2CCCC2)CC(=O)NO; CC(C)(C)[CH](NC(=O)Nc1cc(F)cc(F)c1)C(=O) N(CC2CCCC2)CC(=O)NO; CC(C)(C)[C@@H](C(=O )N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F )F; Fc1cc(cc(F)c1)NC(=O)NC(C(=O)N(CC(=O) NO)CC2CCCC2)C(C)(C)C |
(S)-N-(cyclopentylmethyl)-2-(3-(3,5-difluorophenyl)ureido)-N-(2-(hydroxyamino)-2-oxoethyl)-3,3-dimethylbutanamide |
| 38378 |  UDC ZINC000098209492 |
4 | C13 H23 N O10 | InChI=1S/C13H23NO10/c1-5( 17)14-8-10(9(19)6(3-15)23 -11(8)20)24-13(2,12(21)22 )7(18)4-16/h6-11,15-16,18 -20H,3-4H2,1-2H3,(H,14,17 )(H,21,22)/t6-,7+,8-,9-,1 0-,11+,13+/m1/s1; NSPVGDAWQINIKU-TXJFNNIZSA-N |
CC(=O)NC1C(C(C(OC1O)CO)O)OC(C)(C(CO)O)C( =O)O; O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO )(C)C(O)CO; CC(=O)N[CH]1[CH](O)O[CH](CO) [CH](O)[CH]1O[C](C)([CH](O)CO)C(O)=O; CC (=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[ C@@H]1O[C@@](C)([C@@H](O)CO)C(O)=O; CC(= O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)C O)O)O[C@@](C)([C@H](CO)O)C(=O)O |
2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose; 2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose; N-acetyl-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-alpha-D-glucosamine; 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucose; 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-D-glucose; 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-glucose |
| 38379 |  UDD CHEMBL3104375 ZINC000095920787 |
1 | C23 H20 F6 N4 | InChI=1S/C23H20F6N4/c24-2 2(25,26)16-3-6-18(7-4-16) 33(20-2-1-11-30-15-20)19- 9-12-32(13-10-19)21-8-5-1 7(14-31-21)23(27,28)29/h1 -8,11,14-15,19H,9-10,12-1 3H2; XCJMUIWIEQFAQX-UHFFFAOYSA-N |
FC(F)(F)c1ccc(cc1)N(c2cccnc2)C4CCN(c3ncc (cc3)C(F)(F)F)CC4; FC(F)(F)c1ccc(cc1)N(C 2CCN(CC2)c3ccc(cn3)C(F)(F)F)c4cccnc4; c1 cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c 4ccc(cn4)C(F)(F)F |
N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine |
| 38380 |  UDE CHEMBL4643353 |
1 | C20 H24 N8 O7 S | InChI=1S/C20H24N8O7S/c1-1 1-8-27(20(32)24-18(11)30) 17-6-15(16(10-29)35-17)28 -9-13(25-26-28)7-22-19(31 )23-12-3-2-4-14(5-12)36(2 1,33)34/h2-5,8-9,15-17,29 H,6-7,10H2,1H3,(H2,21,33, 34)(H2,22,23,31)(H,24,30, 32)/t15-,16+,17+/m0/s1; JDLXXAQKDPZINZ-GVDBMIGSSA-N |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)n3cc(nn3) CNC(=O)Nc4cccc(c4)S(=O)(=O)N; CC1=CN([CH ]2C[CH]([CH](CO)O2)n3cc(CNC(=O)Nc4cccc(c 4)[S](N)(=O)=O)nn3)C(=O)NC1=O; CC1=CN(C( =O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc( nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N; CC1=CN ([C@H]2C[C@@H]([C@@H](CO)O2)n3cc(CNC(=O) Nc4cccc(c4)[S](N)(=O)=O)nn3)C(=O)NC1=O |
3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide; 1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea |
| 38381 |  UDF |
0 | C43 H51 N10 O10 | InChI=1S/C43H51N10O10/c1- 25-34(48-39(58)36-33(55)1 6-9-19-45-36)38(57)47-29( 17-20-46-50-44)40(59)52-2 1-10-15-30(52)41(60)51(2) 32(23-26-11-5-3-6-12-26)4 2(61)53-22-18-28(54)24-31 (53)37(56)49-35(43(62)63- 25)27-13-7-4-8-14-27/h3-9 ,11-14,16,19,25,28-32,34- 35,44,54-55H,10,15,17-18, 20-24H2,1-2H3,(H,47,57)(H ,48,58)(H,49,56)/t25-,28- ,29-,30+,31+,32+,34+,35+/ m1/s1; GGUGHAXGYRHUOM-RILDDUCRSA-N |
C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C @H]2C(=O)N([C@H](C(=O)N3CC[C@H](C[C@H]3C (=O)N[C@H](C(=O)O1)c4ccccc4)O)Cc5ccccc5) C)CCN=[N]=N)NC(=O)c6c(cccn6)O; C[CH]1OC( =O)[CH](NC(=O)[CH]2C[CH](O)CCN2C(=O)[CH] (Cc3ccccc3)N(C)C(=O)[CH]4CCCN4C(=O)[CH]( CCN=[N]=N)NC(=O)[CH]1NC(=O)c5ncccc5O)c6c cccc6; C[C@H]1OC(=O)[C@@H](NC(=O)[C@@H]2 C[C@H](O)CCN2C(=O)[C@H](Cc3ccccc3)N(C)C( =O)[C@@H]4CCCN4C(=O)[C@@H](CCN=[N]=N)NC( =O)[C@H]1NC(=O)c5ncccc5O)c6ccccc6; CC1C( C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC( CC3C(=O)NC(C(=O)O1)c4ccccc4)O)Cc5ccccc5) C)CCN=[N]=N)NC(=O)c6c(cccn6)O |
~{N}-[(3~{S},6~{S},12~{R},15~{S},16~{R},19~{S},22~{S},24~{R})-12-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethyl]-4,16-dimethyl-24-oxidanyl-2,5,11,14,18,21-hexakis(oxidanylidene)-19-phenyl-3-(phenylmethyl)-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide |
| 38382 |  UDG |
1 | C43 H77 N3 O20 P2 | InChI=1S/C43H77N3O20P2/c1 -3-5-7-9-11-13-15-17-19-2 1-29(48)25-34(51)44-36-40 (64-35(52)26-30(49)22-20- 18-16-14-12-10-8-6-4-2)38 (54)31(27-47)63-42(36)65- 68(59,60)66-67(57,58)61-2 8-32-37(53)39(55)41(62-32 )46-24-23-33(50)45-43(46) 56/h23-24,29-32,36-42,47- 49,53-55H,3-22,25-28H2,1- 2H3,(H,44,51)(H,57,58)(H, 59,60)(H,45,50,56)/t29-,3 0-,31-,32-,36-,37-,38-,39 -,40-,41-,42-/m1/s1; KOJCFMYSTWNMQW-RUAJDYCTSA-N |
CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)(O) OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O) O)CO)O)OC(=O)CC(CCCCCCCCCCC)O)O; CCCCCCC CCCC[CH](O)CC(=O)N[CH]1[CH](O[CH](CO)[CH ](O)[CH]1OC(=O)C[CH](O)CCCCCCCCCCC)O[P]( O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH ]2O)N3C=CC(=O)NC3=O; O=C1C=CN(C(=O)N1)C2 OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(OC (=O)CC(O)CCCCCCCCCCC)C3NC(=O)CC(O)CCCCCC CCCCC)CO)O)O; CCCCCCCCCCC[C@@H](O)CC(=O) N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O C(=O)C[C@H](O)CCCCCCCCCCC)O[P](O)(=O)O[P ](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O) N3C=CC(=O)NC3=O; CCCCCCCCCCC[C@H](CC(=O) N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@] (=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H] ([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(= O)C[C@@H](CCCCCCCCCCC)O)O |
(2R,3R,4R,5S,6R)-2-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3R)-3-hydroxytetradecanoyl]amino}tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate |
| 38383 |  UDH DB02696 ZINC000013523996 |
25 | C15 H27 N3 O12 P2 | InChI=1S/C15H27N3O12P2/c1 6-6-3-1-2-4-8-27-31(23,24 )30-32(25,26)28-9-10-12(2 0)13(21)14(29-10)18-7-5-1 1(19)17-15(18)22/h5,7,10, 12-14,20-21H,1-4,6,8-9,16 H2,(H,23,24)(H,25,26)(H,1 7,19,22)/t10-,12-,13-,14- /m1/s1; MLWJBKPFDKRHBM-FMKGYKFTSA-N |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP (=O)(O)OCCCCCCN)O)O; O=P(O)(OCCCCCCN)OP( =O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCC N)O)O; NCCCCCCO[P](O)(=O)O[P](O)(=O)OC[C H]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O; NCCCCCCO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C @H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O |
6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE |
| 38384 |  UDI ZINC000003860245 |
1 | C4 H10 S2 | InChI=1S/C4H10S2/c5-3-1-2 -4-6/h5-6H,1-4H2; SMTOKHQOVJRXLK-UHFFFAOYSA-N |
SCCCCS; C(CCS)CS | butane-1,4-dithiol; 1,2-dithiane 1-oxide (reacted) |
| 38385 |  UDJ ZINC000003797551 |
4 | C24 H31 N O | InChI=1S/C24H31NO/c1-23-1 1-9-18(26)14-17(23)5-6-19 -21-8-7-20(16-4-3-13-25-1 5-16)24(21,2)12-10-22(19) 23/h3-4,7,13,15,17,19,21- 22H,5-6,8-12,14H2,1-2H3/t 17-,19-,21-,22-,23-,24+/m 0/s1; FKNZCFYWNHCQGE-IRMBCWQZSA-N |
CC12CCC(=O)CC1CCC3C2CCC4(C3CC=C4c5cccnc5 )C; C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H ]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5; C[C]12 CCC(=O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3C C=C4c5cccnc5; c1ccncc1C=4C3(CCC5C2(CCC(= O)CC2CCC5C3CC=4)C)C; C[C@]12CCC(=O)C[C@@ H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5 cccnc5)C |
(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one |
| 38386 |  UDK |
1 | C25 H36 N6 O2 | InChI=1S/C25H36N6O2/c1-19 -8-12-30(13-9-19)15-20-4- 6-21(7-5-20)24(32)27-16-2 5(33)10-3-11-31(17-25)23- 14-22(26-2)28-18-29-23/h4 -7,14,18-19,33H,3,8-13,15 -17H2,1-2H3,(H,27,32)(H,2 6,28,29)/t25-/m1/s1; WWAIRFCQIINAHC-RUZDIDTESA-N |
CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN (C3)c4cc(ncn4)NC)O; CNc1cc(ncn1)N2CCC[C@ @](O)(CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)C2; CC1CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3) c4cc(ncn4)NC)O; CNc1cc(ncn1)N2CCC[C](O)( CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)C2 |
(R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide; ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide |
| 38387 |  UDM CHEMBL596137 ZINC000016051788 |
3 | C18 H29 N3 O16 P2 | InChI=1S/C18H29N3O16P2/c1 -7(23)19-12-10(35-8(4-22) 13(25)15(12)27)6-38(30,31 )37-39(32,33)34-5-9-14(26 )16(28)17(36-9)21-3-2-11( 24)20-18(21)29/h2-3,8-10, 12-17,22,25-28H,4-6H2,1H3 ,(H,19,23)(H,30,31)(H,32, 33)(H,20,24,29)/t8-,9-,10 -,12+,13-,14-,15-,16-,17- /m1/s1; KUFKOJZYUNOEES-DLLWPQOWSA-N |
CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1 O)O)CO)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2 [C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O) O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[C H]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([C H](O)[CH]2O)N3C=CC(=O)NC3=O; CC(=O)NC1C( OC(C(C1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2C(C( C(O2)N3C=CC(=O)NC3=O)O)O; CC(=O)N[C@@H]1 [C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1C[P@@ ](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H ](O)[C@@H]2O)N3C=CC(=O)NC3=O |
URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE; ((2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)METHYLPHOSPHONIC (((2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL PHOSPHORIC) ANHYDRIDE |
| 38388 |  UDN |
2 | C18 H29 N3 O16 P2 | InChI=1S/C18H29N3O16P2/c1 -7(23)19-12-10(35-8(4-22) 13(25)15(12)27)6-38(30,31 )37-39(32,33)34-5-9-14(26 )16(28)17(36-9)21-3-2-11( 24)20-18(21)29/h2-3,8-10, 12-17,22,25-28H,4-6H2,1H3 ,(H,19,23)(H,30,31)(H,32, 33)(H,20,24,29)/t8-,9+,10 -,12+,13+,14-,15-,16-,17- /m1/s1; KUFKOJZYUNOEES-HCUIDVLSSA-N |
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C O)O[C@@H]1C[P](O)(=O)O[P](O)(=O)OC[C@@H] 2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O ; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH ]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH ](O)[CH]2O)N3C=CC(=O)NC3=O; CC(=O)NC1C(O C(C(C1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2C(C(C (O2)N3C=CC(=O)NC3=O)O)O; CC(=O)N[C@H]1[C @H](O[C@@H]([C@@H]([C@@H]1O)O)CO)CP(=O)( O)OP(=O)(O)OCC2[C@H]([C@H]([C@@H](O2)N3C =CC(=O)NC3=O)O)O |
Uridine-Diphosphate-Methylene-N-acetyl-galactosamine |
| 38389 |  UDO CHEMBL3104526 ZINC000095920780 |
1 | C24 H21 Cl F3 N3 O | InChI=1S/C24H21ClF3N3O/c2 5-20-7-3-17(4-8-20)22(18- 2-1-11-29-16-18)23(32)31- 14-12-30(13-15-31)21-9-5- 19(6-10-21)24(26,27)28/h1 -11,16,22H,12-15H2/t22-/m 0/s1; OJFZYAQGMWSUID-QFIPXVFZSA-N |
FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)[CH](c3 ccc(Cl)cc3)c4cccnc4; c1cc(cnc1)[C@H](c2c cc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)( F)F; FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)[C @@H](c3ccc(Cl)cc3)c4cccnc4; O=C(N2CCN(c1 ccc(cc1)C(F)(F)F)CC2)C(c3ccc(Cl)cc3)c4cc cnc4; c1cc(cnc1)C(c2ccc(cc2)Cl)C(=O)N3CC N(CC3)c4ccc(cc4)C(F)(F)F |
(S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone |
| 38390 |  UDP CHEMBL130266 DB03435 ZINC000004490939 |
1217 | C9 H14 N2 O12 P2 | InChI=1S/C9H14N2O12P2/c12 -5-1-2-11(9(15)10-5)8-7(1 4)6(13)4(22-8)3-21-25(19, 20)23-24(16,17)18/h1-2,4, 6-8,13-14H,3H2,(H,19,20)( H,10,12,15)(H2,16,17,18)/ t4-,6-,7-,8-/m1/s1; XCCTYIAWTASOJW-XVFCMESISA-N |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O; O[CH ]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)( O)=O)N2C=CC(=O)NC2=O; O[C@H]1[C@@H](O)[C @@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2 C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O)C2C(C(C( O2)COP(=O)(O)OP(=O)(O)O)O)O; O=P(O)(O)OP (=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O |
URIDINE-5'-DIPHOSPHATE |
| 38391 |  UDQ ZINC000257282554 |
1 | C24 H34 N6 O2 | InChI=1S/C24H34N6O2/c1-25 -21-14-22(28-18-27-21)30- 13-5-10-24(32,17-30)16-26 -23(31)20-8-6-19(7-9-20)1 5-29-11-3-2-4-12-29/h6-9, 14,18,32H,2-5,10-13,15-17 H2,1H3,(H,26,31)(H,25,27, 28)/t24-/m1/s1; OUFLYLBALJIUPJ-XMMPIXPASA-N |
CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(c c3)CN4CCCCC4)O; CNc1cc(ncn1)N2CCCC(C2)(C NC(=O)c3ccc(cc3)CN4CCCCC4)O; CNc1cc(ncn1 )N2CCC[C](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3) C2; CNc1cc(ncn1)N2CCC[C@@](O)(CNC(=O)c3c cc(CN4CCCCC4)cc3)C2 |
N-[[(3R)-3-Hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide; ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide |
| 38392 |  UDR CHEMBL574823 ZINC000034875798 |
1 | C27 H29 N3 O5 S | InChI=1S/C27H29N3O5S/c1-1 5-11-18(13-21(24(15)33-5) 26(31)36-6)20(9-7-8-10-23 -29-28-17(3)34-23)19-12-1 6(2)25-22(14-19)30(4)27(3 2)35-25/h9,11-14H,7-8,10H 2,1-6H3/b20-9+; OIXOQSQILWVOGS-AWQFTUOYSA-N |
COc1c(C)cc(cc1C(=O)SC)C(=CCCCc2oc(C)nn2) c3cc(C)c4OC(=O)N(C)c4c3; O=C(SC)c1c(OC)c (cc(c1)C(\c3cc2c(OC(=O)N2C)c(c3)C)=C/CCC c4nnc(o4)C)C; Cc1cc(cc2c1OC(=O)N2C)C(=CC CCc3nnc(o3)C)c4cc(c(c(c4)C(=O)SC)OC)C; C Oc1c(C)cc(cc1C(=O)SC)\C(=C/CCCc2oc(C)nn2 )c3cc(C)c4OC(=O)N(C)c4c3; Cc1cc(cc2c1OC( =O)N2C)/C(=C/CCCc3nnc(o3)C)/c4cc(c(c(c4) C(=O)SC)OC)C |
(E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate; S-methyl 5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-en-1-yl]-2-methox y-3-methylbenzenecarbothioate |
| 38393 |  UDS ZINC000058649713 |
0 | C13 H12 N2 O5 | InChI=1S/C13H12N2O5/c16-6 -9(13(19)20)15-12(18)11-1 0(17)5-7-3-1-2-4-8(7)14-1 1/h1-5,9,16-17H,6H2,(H,15 ,18)(H,19,20)/t9-/m1/s1; BTUDZNSKPNNMTD-SECBINFHSA-N |
OC[CH](NC(=O)c1nc2ccccc2cc1O)C(O)=O; c1c cc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O; O=C(O)C(NC(=O)c1nc2ccccc2cc1O)CO; c1ccc 2c(c1)cc(c(n2)C(=O)NC(CO)C(=O)O)O; OC[C@ @H](NC(=O)c1nc2ccccc2cc1O)C(O)=O |
N-[(3-HYDROXYQUINOLIN-2-YL)CARBONYL]-D-SERINE |
| 38394 |  UDT DB08684 ZINC000053683305 |
2 | C11 H22 O2 S | InChI=1S/C11H22O2S/c1-2-3 -4-5-6-7-8-9-10-13-11(12) 14/h2-10H2,1H3,(H,12,14); RFWUWWWJCLPVPT-UHFFFAOYSA-N |
CCCCCCCCCCOC(S)=O; CCCCCCCCCCOC(=O)S; O= C(OCCCCCCCCCC)S |
O-DECYL HYDROGEN THIOCARBONATE |
| 38395 |  UDU |
0 | C73 H88 F N13 O16 | InChI=1S/C73H88FN13O16/c1 -42(2)64-47(24-25-59(91)7 5-28-12-16-43(3)34-51(89) 37-48(74)38-60-77-53(41-1 01-60)69(96)86-31-15-22-5 5(86)72(99)103-64)36-49-4 0-84(82-81-49)32-27-52-68 (95)85-30-14-21-54(85)70( 97)83(5)57(35-45-17-8-6-9 -18-45)71(98)87-33-26-50( 88)39-56(87)65(92)80-62(4 6-19-10-7-11-20-46)73(100 )102-44(4)61(66(93)78-52) 79-67(94)63-58(90)23-13-2 9-76-63/h6-13,16-20,23-25 ,29,34,40-42,44,47-48,50- 52,54-57,61-62,64,88-90H, 14-15,21-22,26-28,30-33,3 5-39H2,1-5H3,(H,75,91)(H, 78,93)(H,79,94)(H,80,92)/ b16-12+,25-24+,43-34+/t44 -,47+,48-,50-,51-,52-,54+ ,55-,56+,57+,61+,62+,64-/ m1/s1; AKWYIICERUUSEV-ICXLGISRSA-N |
CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[C H](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1Cc4 cn(CC[CH]5NC(=O)[CH](NC(=O)c6ncccc6O)[CH ](C)OC(=O)[CH](NC(=O)[CH]7C[CH](O)CCN7C( =O)[CH](Cc8ccccc8)N(C)C(=O)[CH]9CCCN9C5= O)c%10ccccc%10)nn4)n3; CC(C)[C@H]1OC(=O) [C@H]2CCCN2C(=O)c3coc(C[C@H](F)C[C@H](O) /C=C(C)/C=C/CNC(=O)/C=C/[C@H]1Cc4cn(CC[C @H]5NC(=O)[C@@H](NC(=O)c6ncccc6O)[C@@H]( C)OC(=O)[C@@H](NC(=O)[C@@H]7C[C@H](O)CCN 7C(=O)[C@H](Cc8ccccc8)N(C)C(=O)[C@@H]9CC CN9C5=O)c%10ccccc%10)nn4)n3; CC1C(C(=O)N C(C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(CC3C(= O)NC(C(=O)O1)c4ccccc4)O)Cc5ccccc5)C)CCn6 cc(nn6)CC7C=CC(=O)NCC=CC(=CC(CC(Cc8nc(co 8)C(=O)N9CCCC9C(=O)OC7C(C)C)F)O)C)NC(=O) c1c(cccn1)O; C[C@@H]1[C@@H](C(=O)N[C@@H] (C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CC[ C@H](C[C@H]3C(=O)N[C@H](C(=O)O1)c4ccccc4 )O)Cc5ccccc5)C)CCn6cc(nn6)C[C@@H]7/C=C/C (=O)NC/C=C/C(=C/[C@H](C[C@H](Cc8nc(co8)C (=O)N9CCC[C@@H]9C(=O)O[C@@H]7C(C)C)F)O)/ C)NC(=O)c1c(cccn1)O; CC1=CC(O)CC(F)Cc2nc (co2)C(=O)N2CCCC2C(=O)OC(C(C)C)C(C=CC(=O )NCC=C1)Cc1cn(nn1)CCC1NC(=O)C(NC(=O)c2nc ccc2O)C(C)OC(=O)C(NC(=O)C2CC(O)CCN2C(=O) C(Cc2ccccc2)N(C)C(=O)C2CCCN2C1=O)c1ccccc 1 |
N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[2-(4-{[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)ethyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide |
| 38396 |  UDV |
2 | C23 H19 Cl N6 | InChI=1S/C23H19ClN6/c1-14 -27-28-22-23(9-10-23)26-2 1(15-3-6-18(24)7-4-15)19- 11-16(5-8-20(19)30(14)22) 17-12-25-29(2)13-17/h3-8, 11-13H,9-10H2,1-2H3; UXTMKNQZSFMNHD-UHFFFAOYSA-N |
c4(C)nnc5C1(CC1)N=C(c2c(ccc(c2)c3cn(C)nc 3)n45)c6ccc(cc6)Cl; Cc1nnc2n1-c3ccc(cc3C (=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)C; Cn1cc (cn1)c2ccc3n4c(C)nnc4C5(CC5)N=C(c6ccc(Cl )cc6)c3c2 |
6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine] |
| 38397 |  UDW |
1 | C17 H23 N5 O3 S | InChI=1S/C17H23N5O3S/c18- 26(24,25)15-5-1-3-13(7-15 )9-19-16-8-17(21-12-20-16 )22-6-2-4-14(10-22)11-23/ h1,3,5,7-8,12,14,23H,2,4, 6,9-11H2,(H2,18,24,25)(H, 19,20,21)/t14-/m1/s1; FIYSDYINBKMBKY-CQSZACIVSA-N |
c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn2)N3CCCC (C3)CO; c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn 2)N3CCC[C@H](C3)CO; N[S](=O)(=O)c1cccc(C Nc2cc(ncn2)N3CCC[CH](CO)C3)c1; N[S](=O)( =O)c1cccc(CNc2cc(ncn2)N3CCC[C@@H](CO)C3) c1 |
(S)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide; 3-[[[6-[(3~{R})-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide |
| 38398 |  UDX DB01713 ZINC000008551129 |
67 | C14 H22 N2 O16 P2 | InChI=1S/C14H22N2O16P2/c1 7-5-3-28-13(11(22)8(5)19) 31-34(26,27)32-33(24,25)2 9-4-6-9(20)10(21)12(30-6) 16-2-1-7(18)15-14(16)23/h 1-2,5-6,8-13,17,19-22H,3- 4H2,(H,24,25)(H,26,27)(H, 15,18,23)/t5-,6-,8+,9-,10 -,11-,12-,13-/m1/s1; DQQDLYVHOTZLOR-OCIMBMBZSA-N |
O[C@@H]1CO[C@H](O[P@@](O)(=O)O[P@@](O)(= O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC (=O)NC3=O)[C@H](O)[C@H]1O; O=P(OC1OCC(O) C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2 =O)C(O)C3O; C1C(C(C(C(O1)OP(=O)(O)OP(=O) (O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O) O; C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](= O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C @@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O; O[CH] 1CO[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[C H]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O) [CH]1O |
URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE; UDP-ALPHA-D-XYLOPYRANOSE |
| 38399 |  UDY CHEMBL587611 |
1 | C15 H9 F N4 S2 | InChI=1S/C15H9FN4S2/c16-9 -4-5-11-13(7-9)22-15(18-1 1)20-14-19-12(8-21-14)10- 3-1-2-6-17-10/h1-8H,(H,18 ,19,20); CKLUPEBKNDQOFT-UHFFFAOYSA-N |
c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F; Fc 1ccc2nc(Nc3scc(n3)c4ccccn4)sc2c1 |
6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine |
| 38400 |  UDZ ZINC000098209493 |
2 | C17 H27 N6 O16 P2 | InChI=1S/C17H26N6O16P2/c1 -6(24)20-10-13(28)11(26)7 (4-19-22-18)37-16(10)38-4 1(33,34)39-40(31,32)35-5- 8-12(27)14(29)15(36-8)23- 3-2-9(25)21-17(23)30/h2-3 ,7-8,10-16,18,26-29H,4-5H 2,1H3,(H3-,20,21,24,25,30 ,31,32,33,34)/p+1/t7-,8-, 10-,11-,12-,13-,14-,15-,1 6-/m1/s1; JRORMXITLCSMOP-CFRASDGPSA-O |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CN =[N+]=N)O[C@@H]1O[P](O)(=O)O[P](O)(=O)OC [C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O) NC3=O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CN =[N+]=N)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[C H]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O; O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP (=O)(OC3OC(C(O)C(O)C3NC(=O)C)C/N=[N+]=[N @H])O)O; CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(= O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CN =[N+]=N)O)O; CC(=O)N[C@@H]1[C@H]([C@@H]( [C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H] 2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O )O)CN=[N+]=N)O)O |
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