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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 7801 | 6CS CHEMBL1230488 ZINC000004521578 |
5 | C6 H10 N2 O3 | InChI=1S/C6H10N2O3/c1-3-7 -2-4(9)5(8-3)6(10)11/h4-5 ,9H,2H2,1H3,(H,7,8)(H,10, 11)/t4-,5-/m0/s1; KIIBBJKLKFTNQO-WHFBIAKZSA-N |
O=C(O)C1N=C(NCC1O)C; CC1=NC(C(CN1)O)C(=O )O; CC1=N[C@@H]([C@H](CN1)O)C(=O)O; CC1= N[CH]([CH](O)CN1)C(O)=O; CC1=N[C@@H]([C@ @H](O)CN1)C(O)=O |
(4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID |
| 7802 | 6CT | 0 | C12 H19 N2 O7 P | InChI=1/C12H19N2O7P/c1-6- 4-14(12(17)13-11(6)16)9-3 -10(15)8(7(9)2)5-21-22(18 ,19)20/h4,7-10,15H,3,5H2, 1-2H3,(H,13,16,17)(H2,18, 19,20)/t7-,8-,9-,10-/m0/s 1/f/h13,18-19H; LAMPGVURVUFMOO-PPXLWESWDY |
O=P(O)(O)OCC2C(C(N1C=C(C(=O)NC1=O)C)CC2O )C; C[CH]1[CH](CO[P](O)(O)=O)[CH](O)C[CH ]1N2C=C(C)C(=O)NC2=O; CC1C(CC(C1COP(=O)( O)O)O)N2C=C(C(=O)NC2=O)C; C[C@@H]1[C@H]( C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)N C2=O)C; C[C@H]1[C@H](CO[P](O)(O)=O)[C@@H ](O)C[C@@H]1N2C=C(C)C(=O)NC2=O |
PHOSPHORIC ACID MONO-[5-HYDROXYMETHYL-2-METHYL-3-THYMINYL-CYCLOPENTYLMETHYL]ESTER GROUP |
| 7803 | 6CU ZINC000584904679 |
6 | C21 H26 N2 | InChI=1S/C21H26N2/c1-6-21 (4)12-11-14-17(19(21)22-5 )16-13-9-7-8-10-15(13)23- 18(16)20(14,2)3/h7-10,14, 17,19,23H,6,11-12H2,1-4H3 /t14-,17-,19+,21+/m0/s1; BWQHHWNHLMXCLS-QBGRRASTSA-N |
CC[C]1(C)CC[CH]2[CH]([CH]1[N+]#[C-])c3c( [nH]c4ccccc34)C2(C)C; CC[C@@]1(CC[C@H]2[ C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2( C)C)C; CCC4(CCC1C(c3c(C1(C)C)nc2c3cccc2) C4[N+]#[C-])C; CCC1(CCC2C(C1[N+]#[C-])c3 c4ccccc4[nH]c3C2(C)C)C; CC[C@]1(C)CC[C@H ]2[C@H]([C@H]1[N+]#[C-])c3c([nH]c4ccccc3 4)C2(C)C |
(6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole; 12-epi-fischerindole U |
| 7804 | 6CV CHEMBL3809682 ZINC000003679860 |
1 | C9 H10 Br N O2 | InChI=1S/C9H10BrNO2/c10-7 -3-1-2-6(4-7)5-8(11)9(12) 13/h1-4,8H,5,11H2,(H,12,1 3)/t8-/m0/s1; GDMOHOYNMWWBAU-QMMMGPOBSA-N |
c1cc(cc(c1)Br)CC(C(=O)O)N; N[CH](Cc1cccc (Br)c1)C(O)=O; c1cc(cc(c1)Br)C[C@@H](C(= O)O)N; N[C@@H](Cc1cccc(Br)c1)C(O)=O; Brc 1cccc(CC(N)C(O)=O)c1 |
3-bromo-L-phenylalanine |
| 7805 | 6CW ZINC000002020167 |
4 | C11 H11 Cl N2 O2 | InChI=1S/C11H11ClN2O2/c12 -7-1-2-8-6(3-9(13)11(15)1 6)5-14-10(8)4-7/h1-2,4-5, 9,14H,3,13H2,(H,15,16)/t9 -/m0/s1; FICLVQOYKYBXFN-VIFPVBQESA-N |
O=C(O)C(N)Cc2c1ccc(Cl)cc1nc2; c1cc2c(cc1 Cl)[nH]cc2CC(C(=O)O)N; N[C@@H](Cc1c[nH]c 2cc(Cl)ccc12)C(O)=O; c1cc2c(cc1Cl)[nH]cc 2C[C@@H](C(=O)O)N; N[CH](Cc1c[nH]c2cc(Cl )ccc12)C(O)=O |
6-CHLORO-L-TRYPTOPHAN |
| 7806 | 6CX | 4 | C18 H25 N9 O5 | InChI=1S/C18H25N9O5/c19-1 0(18(30)31)1-2-26(4-9-3-2 1-6-22-9)5-11-13(28)14(29 )17(32-11)27-8-25-12-15(2 0)23-7-24-16(12)27/h3,6-8 ,10-11,13-14,17,28-29H,1- 2,4-5,19H2,(H,21,22)(H,30 ,31)(H2,20,23,24)/t10-,11 +,13+,14+,17+/m0/s1; PWEFHAQFFKNLPL-YRGUDCOPSA-N |
c1c(nc[nH]1)CN(CC[C@@H](C(=O)O)N)C[C@@H] 2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O) O; c2nc1n(cnc1c(n2)N)C4C(C(C(CN(Cc3cncn3 )CCC(C(O)=O)N)O4)O)O; N[CH](CCN(C[CH]1O[ CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)Cc4c[ nH]cn4)C(O)=O; N[C@@H](CCN(C[C@H]1O[C@H] ([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)Cc4c[ nH]cn4)C(O)=O; c1c(nc[nH]1)CN(CCC(C(=O)O )N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O |
5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine |
| 7807 | 6CY CHEMBL3977066 ZINC000149750490 |
2 | C28 H24 N6 O3 | InChI=1S/C28H24N6O3/c1-18 (35)33-8-10-34(11-9-33)28 (36)21-5-3-4-20(12-21)26- 24-14-19(6-7-25(24)31-17- 32-26)23-13-22(15-29)27(3 7-2)30-16-23/h3-7,12-14,1 6-17H,8-11H2,1-2H3; QYTXJLQBSYAMGR-UHFFFAOYSA-N |
C5N(C(=O)C)CCN(C(=O)c1cc(ccc1)c2ncnc4c2c c(c3cc(c(OC)nc3)C#N)cc4)C5; CC(=O)N1CCN( CC1)C(=O)c2cccc(c2)c3c4cc(ccc4ncn3)c5cc( c(nc5)OC)C#N; COc1ncc(cc1C#N)c2ccc3ncnc( c4cccc(c4)C(=O)N5CCN(CC5)C(C)=O)c3c2 |
5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile |
| 7808 | 6CZ | 1 | C19 H27 N7 O8 | InChI=1S/C19H27N7O8/c1-2- 33-19(32)10(27)5-25(4-3-9 (20)18(30)31)6-11-13(28)1 4(29)17(34-11)26-8-24-12- 15(21)22-7-23-16(12)26/h7 -9,11,13-14,17,28-29H,2-6 ,20H2,1H3,(H,30,31)(H2,21 ,22,23)/t9-,11+,13+,14+,1 7+/m0/s1; IYHWPVZKSOPQIK-JHTGIODLSA-N |
CCOC(=O)C(=O)CN(CC[C@@H](C(=O)O)N)C[C@@H ]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O )O; CCOC(=O)C(=O)CN(CC[CH](N)C(O)=O)C[CH ]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23; CCOC(=O)C(=O)CN(CC[C@H](N)C(O)=O)C[C@H]1 O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 ; n3c(c1c(n(cn1)C2OC(CN(CCC(C(=O)O)N)CC( C(=O)OCC)=O)C(C2O)O)nc3)N; CCOC(=O)C(=O) CN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc 3N)O)O |
5'-{[(3S)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine |
| 7809 | 6D0 | 2 | C17 H24 Br N7 O6 | InChI=1S/C17H24BrN7O6/c18 -3-8(26)4-24(2-1-9(19)17( 29)30)5-10-12(27)13(28)16 (31-10)25-7-23-11-14(20)2 1-6-22-15(11)25/h6-7,9-10 ,12-13,16,27-28H,1-5,19H2 ,(H,29,30)(H2,20,21,22)/t 9-,10+,12+,13+,16+/m0/s1; DHRFKRQEQCVPMB-UOYPZJKHSA-N |
N[C@@H](CCN(C[C@H]1O[C@H]([C@H](O)[C@@H] 1O)n2cnc3c(N)ncnc23)CC(=O)CBr)C(O)=O; c1 nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O)O )N)CC(=O)CBr)O)O)N; c1nc(c2c(n1)n(cn2)[C @H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C (=O)O)N)CC(=O)CBr)O)O)N; O=C(O)C(CCN(CC( CBr)=O)CC3OC(n1cnc2c(N)ncnc12)C(C3O)O)N; N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2c nc3c(N)ncnc23)CC(=O)CBr)C(O)=O |
5'-{[(3S)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine |
| 7810 | 6D1 | 3 | C16 H24 Cl N7 O5 | InChI=1S/C16H24ClN7O5/c17 -2-4-23(3-1-8(18)16(27)28 )5-9-11(25)12(26)15(29-9) 24-7-22-10-13(19)20-6-21- 14(10)24/h6-9,11-12,15,25 -26H,1-5,18H2,(H,27,28)(H 2,19,20,21)/t8-,9+,11+,12 +,15+/m0/s1; HTQOMKNFDALONB-OPYVMVOTSA-N |
N[CH](CCN(CCCl)C[CH]1O[CH]([CH](O)[CH]1O )n2cnc3c(N)ncnc23)C(O)=O; c1nc(c2c(n1)n( cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C @@H](C(=O)O)N)CCCl)O)O)N; c1nc(c2c(n1)n( cn2)C3C(C(C(O3)CN(CCC(C(=O)O)N)CCCl)O)O) N; NC(C(=O)O)CCN(CCCl)CC1OC(C(O)C1O)n2cn c3c2ncnc3N; N[C@@H](CCN(CCCl)C[C@H]1O[C@ H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O )=O |
5'-{[(3S)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine |
| 7811 | 6D2 CHEMBL1199364 ZINC000049113375 |
4 | C18 H30 N10 O5 | InChI=1S/C18H30N10O5/c19- 9(17(31)32)2-5-27(4-1-3-2 3-18(21)22)6-10-12(29)13( 30)16(33-10)28-8-26-11-14 (20)24-7-25-15(11)28/h7-1 0,12-13,16,29-30H,1-6,19H 2,(H,31,32)(H2,20,24,25)( H4,21,22,23)/t9-,10+,12+, 13+,16+/m0/s1; XBMZCXWGTKEJNB-UOYPZJKHSA-N |
C(CN(CCC(C(O)=O)N)CC1C(O)C(O)C(O1)n3c2c( c(ncn2)N)nc3)CNC(=N)\N; [H]/N=C(/N)\NCCC N(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]( [C@@H](O1)n2cnc3c2ncnc3N)O)O; N[C@@H](CC N(CCCNC(N)=N)C[C@H]1O[C@H]([C@H](O)[C@@H ]1O)n2cnc3c(N)ncnc23)C(O)=O; c1nc(c2c(n1 )n(cn2)C3C(C(C(O3)CN(CCCNC(=N)N)CCC(C(=O )O)N)O)O)N; N[CH](CCN(CCCNC(N)=N)C[CH]1O [CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O) =O |
5'-{[(3S)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine |
| 7812 | 6D3 | 4 | C22 H33 N11 O7 | InChI=1S/C22H33N11O7/c23- 12(21(36)37)2-5-31(3-1-4- 32-7-11(29-30-32)6-13(24) 22(38)39)8-14-16(34)17(35 )20(40-14)33-10-28-15-18( 25)26-9-27-19(15)33/h7,9- 10,12-14,16-17,20,34-35H, 1-6,8,23-24H2,(H,36,37)(H ,38,39)(H2,25,26,27)/t12- ,13-,14+,16+,17+,20+/m0/s 1; ADSMXCDKXYTNGH-WPWKUSFZSA-N |
c1c(nnn1CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[ C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O) C[C@@H](C(=O)O)N; c1c(nnn1CCCN(CCC(C(=O) O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)CC(C( =O)O)N; O=C(O)C(N)CCN(CC1OC(C(O)C1O)n2cn c3c2ncnc3N)CCCn4nnc(c4)CC(C(O)=O)N; N[C@ @H](CCN(CCCn1cc(C[C@H](N)C(O)=O)nn1)C[C@ H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncn c34)C(O)=O; N[CH](CCN(CCCn1cc(C[CH](N)C( O)=O)nn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc 4c(N)ncnc34)C(O)=O |
|
| 7813 | 6D4 | 3 | C16 H28 N10 O5 | InChI=1S/C16H28N10O5/c17- 8(16(29)30)1-3-25(4-2-23- 24-19)5-9-11(27)12(28)15( 31-9)26-7-22-10-13(18)20- 6-21-14(10)26/h6-9,11-12, 15,23-24,27-28H,1-5,17,19 H2,(H,29,30)(H2,18,20,21) /t8-,9+,11+,12+,15+/m0/s1; VMVULOLZRIEVIA-OPYVMVOTSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(=O )O)N)CCNNN)O)O)N; NNNCCN(CC[CH](N)C(O)=O )C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncn c23; NNNCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@ H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; c1 nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H ](O3)CN(CC[C@@H](C(=O)O)N)CCNNN)O)O)N; C (CN(CCC(C(O)=O)N)CC3C(C(C(n2c1ncnc(c1nc2 )N)O3)O)O)NNN |
5'-{[(3S)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine |
| 7814 | 6D5 | 4 | C17 H26 N10 O5 | InChI=1S/C17H26N10O5/c18- 9(17(30)31)2-5-26(4-1-3-2 4-25-20)6-10-12(28)13(29) 16(32-10)27-8-23-11-14(19 )21-7-22-15(11)27/h7-10,1 2-13,16,28-29H,1-6,18H2,( H,30,31)(H2,19,21,22)/t9- ,10+,12+,13+,16+/m0/s1; HOYYGMYIDDINNM-UOYPZJKHSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCN=[N+ ]=[N-])CCC(C(=O)O)N)O)O)N; c1nc(c2c(n1)n (cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCC N=[N+]=[N-])CC[C@@H](C(=O)O)N)O)O)N; N[C H](CCN(CCCN=[N+]=[N-])C[CH]1O[CH]([CH](O )[CH]1O)n2cnc3c(N)ncnc23)C(O)=O; N[C@@H] (CCN(CCCN=[N+]=[N-])C[C@H]1O[C@H]([C@H]( O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O |
(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid |
| 7815 | 6D6 CHEMBL3414628 ZINC000199753701 |
8 | C17 H28 N8 O5 | InChI=1S/C17H28N8O5/c18-3 -1-4-24(5-2-9(19)17(28)29 )6-10-12(26)13(27)16(30-1 0)25-8-23-11-14(20)21-7-2 2-15(11)25/h7-10,12-13,16 ,26-27H,1-6,18-19H2,(H,28 ,29)(H2,20,21,22)/t9-,10+ ,12+,13+,16+/m0/s1; NHAKJKNYYCYZBR-UOYPZJKHSA-N |
C(CCN(CCC(C(O)=O)N)CC1C(O)C(C(O1)n2cnc3c 2ncnc3N)O)N; NCCCN(CC[C@H](N)C(O)=O)C[C@ H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncn c23; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC N)CCC(C(=O)O)N)O)O)N; NCCCN(CC[CH](N)C(O )=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N) ncnc23; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([ C@@H]([C@H](O3)CN(CCCN)CC[C@@H](C(=O)O)N )O)O)N |
5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine |
| 7816 | 6D7 CHEMBL1921985 ZINC000000003322 |
2 | C18 H17 N3 O2 | InChI=1S/C18H17N3O2/c1-19 -17(22)14-3-2-13-9-15(5-4 -12(13)8-14)18(23)6-7-21- 11-20-10-16(18)21/h2-5,8- 11,23H,6-7H2,1H3,(H,19,22 )/t18-/m1/s1; OZPFIJIOIVJZMN-GOSISDBHSA-N |
CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4 )O; CNC(=O)c1ccc2cc(ccc2c1)[C]3(O)CCn4cn cc34; CNC(=O)c1ccc2cc(ccc2c1)[C@]3(O)CCn 4cncc34; CNC(=O)c1ccc2cc(ccc2c1)C3(CCn4c 3cnc4)O; C3(c1cc2c(cc1)cc(C(NC)=O)cc2)(C Cn4cncc34)O |
(R)-orteronel; 6-[(7R)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide |
| 7817 | 6D8 CHEMBL3264610 DB12275 ZINC000139920592 |
4 | C18 H17 F4 N3 O3 | InChI=1S/C18H17F4N3O3/c1- 9(2)18(26,15-8-23-25-24-1 5)12-4-3-10-6-13(27-16(19 )20)14(28-17(21)22)7-11(1 0)5-12/h3-9,16-17,26H,1-2 H3,(H,23,24,25)/t18-/m0/s 1; ZBRAJOQFSNYJMF-SFHVURJKSA-N |
CC(C)[C](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2 c1)c3c[nH]nn3; CC(C)[C@](c1ccc2cc(c(cc2c 1)OC(F)F)OC(F)F)(c3c[nH]nn3)O; CC(C)[C@] (O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c3c[n H]nn3; c2c(c(cc3cc(C(c1cnnn1)(C(C)C)O)cc c23)OC(F)F)OC(F)F; CC(C)C(c1ccc2cc(c(cc2 c1)OC(F)F)OC(F)F)(c3c[nH]nn3)O |
VT-464; (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-1,2,3-triazol-4-yl)propan-1-ol |
| 7818 | 6DA CHEMBL3899461 ZINC000584904901 |
2 | C28 H25 N7 O S | InChI=1S/C28H25N7OS/c1-2- 4-19(5-3-1)23-15-21-24(16 -30-23)31-17-25-27(21)35( 18-32-25)20-6-7-22-26(14- 20)37-28(33-22)29-8-9-34- 10-12-36-13-11-34/h1-7,14 -18H,8-13H2,(H,29,33); WJOPLUBIUOVUKG-UHFFFAOYSA-N |
c1ccc(cc1)c2cc3c(cn2)ncc4c3n(cn4)c5ccc6c (c5)sc(n6)NCCN7CCOCC7; C(CN1CCOCC1)Nc2sc 3cc(ccc3n2)n4cnc5cnc6cnc(cc6c45)c7ccccc7 ; C(CNc6nc5c(cc(n4cnc3cnc2c(cc(c1ccccc1) nc2)c34)cc5)s6)N7CCOCC7 |
N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine |
| 7819 | 6DB ZINC000001529867 |
11 | C9 H18 N4 O4 | InChI=1S/C9H18N4O4/c1-5(7 (14)15)13-6(8(16)17)3-2-4 -12-9(10)11/h5-6,13H,2-4H 2,1H3,(H,14,15)(H,16,17)( H4,10,11,12)/t5-,6+/m1/s1; IMXSCCDUAFEIOE-RITPCOANSA-N |
CC(C(=O)O)NC(CCCNC(=N)N)C(=O)O; O=C(O)C( NC(C(O)=O)CCCN\C(=N)N)C; [H]/N=C(/N)\NCC C[C@@H](C(=O)O)N[C@H](C)C(=O)O; C[C@@H]( N[C@@H](CCCNC(N)=N)C(O)=O)C(O)=O; C[CH]( N[CH](CCCNC(N)=N)C(O)=O)C(O)=O |
octopine |
| 7820 | 6DC CHEMBL3236464 ZINC000143518406 |
2 | C19 H19 N5 O3 S | InChI=1S/C19H19N5O3S/c1-3 -9-28(26,27)23-18-6-4-5-1 7(15(18)11-20)22-13-7-8-1 6-14(10-13)19(25)24(2)12- 21-16/h4-8,10,12,22-23H,3 ,9H2,1-2H3; VBLJFIYCXZTIPN-UHFFFAOYSA-N |
CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C( N(C=N3)C)=O; CCC[S](=O)(=O)Nc1cccc(Nc2cc c3N=CN(C)C(=O)c3c2)c1C#N; CCCS(=O)(=O)Nc 1cccc(c1C#N)Nc2ccc3c(c2)C(=O)N(C=N3)C |
N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide |
| 7821 | 6DD CHEMBL532231 |
2 | C22 H21 N5 O7 | InChI=1S/C22H21N5O7/c23-2 2-25-16-6-1-12(9-15(16)20 (32)26-22)10-27(11-28)14- 4-2-13(3-5-14)19(31)24-17 (21(33)34)7-8-18(29)30/h1 -6,9,11,17H,7-8,10H2,(H,2 4,31)(H,29,30)(H,33,34)(H 3,23,25,26,32)/t17-/m0/s1; QHUBQNFYSLRYQG-KRWDZBQOSA-N |
Nc1nc(O)c2cc(CN(C=O)c3ccc(cc3)C(=O)N[C@@ H](CCC(O)=O)C(O)=O)ccc2n1; Nc1nc(O)c2cc( CN(C=O)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O )=O)ccc2n1; c1cc(ccc1C(=O)NC(CCC(=O)O)C( =O)O)N(Cc2ccc3c(c2)c(nc(n3)N)O)C=O; c1cc (ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2c cc3c(c2)c(nc(n3)N)O)C=O; O=C(O)C(NC(=O)c 1ccc(cc1)N(C=O)Cc3cc2c(nc(nc2O)N)cc3)CCC (=O)O |
N-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)methyl](formyl)amino}benzoyl)-L-glutamic acid |
| 7822 | 6DE CHEMBL519827 DB03807 ZINC000012503927 |
2 | C14 H15 Cl N2 O2 | InChI=1S/C14H15ClN2O2/c1- 4-19-14(18)13-9(2)16-17(1 0(13)3)12-8-6-5-7-11(12)1 5/h5-8H,4H2,1-3H3; XQCKNCFQOJFQFK-UHFFFAOYSA-N |
Clc1ccccc1n2nc(c(c2C)C(=O)OCC)C; CCOC(=O )c1c(C)nn(c1C)c2ccccc2Cl; CCOC(=O)c1c(nn (c1C)c2ccccc2Cl)C |
1-(2-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER |
| 7823 | 6DF ZINC000584904979 |
4 | C16 H19 N2 O5 P | InChI=1S/C16H19N2O5P/c1-1 1(13-6-4-3-5-7-13)18-9-15 -14(10-23-24(20,21)22)8-1 7-12(2)16(15)19/h3-9,11,1 9H,10H2,1-2H3,(H2,20,21,2 2)/b18-9+/t11-/m1/s1; ZBWJIKYNMPWLJE-PBFYJAPKSA-N |
C[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)c2c cccc2; Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C)c 2ccccc2)O; C[C@@H](N=Cc1c(O)c(C)ncc1CO[P ](O)(O)=O)c2ccccc2; Cc1c(c(c(cn1)COP(=O) (O)O)/C=N/[C@H](C)c2ccccc2)O |
[6-methyl-5-oxidanyl-4-[(~{E})-[(1~{R})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate |
| 7824 | 6DG CHEMBL3806216 ZINC000146679122 |
2 | C19 H19 F2 N5 O | InChI=1S/C19H19F2N5O/c20- 11-2-3-15(21)13(6-11)18-1 6(22)7-12(10-27-18)25-8-1 4-17(9-25)24-26-5-1-4-23- 19(14)26/h1-6,12,16,18H,7 -10,22H2/t12-,16+,18-/m1/ s1; CEOQJSZJQDMDFU-PZPSRYQVSA-N |
c1cnc2c3c(nn2c1)CN(C3)[C@@H]4C[C@@H]([C@ H](OC4)c5cc(ccc5F)F)N; c1c(F)c(cc(c1)F)C 2OCC(CC2N)N3Cc5c(C3)c4n(cccn4)n5; N[C@H] 1C[C@H](CO[C@@H]1c2cc(F)ccc2F)N3Cc4nn5cc cnc5c4C3; c1cnc2c3c(nn2c1)CN(C3)C4CC(C(O C4)c5cc(ccc5F)F)N; N[CH]1C[CH](CO[CH]1c2 cc(F)ccc2F)N3Cc4nn5cccnc5c4C3 |
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(7H-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9H)-yl)oxan-3-amine |
| 7825 | 6DH ZINC000004243182 |
3 | C11 H11 F3 N2 O | InChI=1S/C11H11F3N2O/c12- 11(13,14)7-3-4-8-9(6-7)16 -10(15-8)2-1-5-17/h3-4,6, 17H,1-2,5H2,(H,15,16); FDRMNTVCDKSRNL-UHFFFAOYSA-N |
OCCCc1[nH]c2cc(ccc2n1)C(F)(F)F; c1cc2c(c c1C(F)(F)F)[nH]c(n2)CCCO; FC(F)(F)c1ccc2 nc(nc2c1)CCCO |
3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol |
| 7826 | 6DJ ZINC000098208544 |
8 | C11 H20 N2 O3 S | InChI=1S/C11H20N2O3S/c1-2 -3-4-12-11-13-5-8(14)10(1 6)9(15)7(13)6-17-11/h7-10 ,14-16H,2-6H2,1H3/b12-11- /t7-,8+,9+,10-/m1/s1; JBCYQOOELVARNJ-XUYWLAQHSA-N |
CCCC/N=C\1/N2C[C@@H]([C@H]([C@H]([C@H]2C S1)O)O)O; CCCCN=C1SC[C@@H]2[C@H](O)[C@H] (O)[C@@H](O)CN12; CCCCN=C1SC[CH]2[CH](O) [CH](O)[CH](O)CN12; CCCCN=C1N2CC(C(C(C2C S1)O)O)O; N(=C1\SCC2N1CC(O)C(O)C2O)\CCCC |
(3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol |
| 7827 | 6DK ZINC000584904690 |
5 | C15 H20 F3 N O3 | InChI=1S/C15H20F3NO3/c16- 15(17,18)14(21,22)11-7-2- 1-6-10-13(20)19-12-8-4-3- 5-9-12/h3-5,8-9,21-22H,1- 2,6-7,10-11H2,(H,19,20); DOVGAPNVSPZBAT-UHFFFAOYSA-N |
c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O; O C(O)(CCCCCCC(=O)Nc1ccccc1)C(F)(F)F |
9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide |
| 7828 | 6DL CHEMBL3898029 |
5 | C14 H9 Br F N3 O3 | InChI=1S/C14H9BrFN3O3/c15 -8-5-7(11(20)6-12(8)21)13 -17-18-14(22)19(13)10-4-2 -1-3-9(10)16/h1-6,20-21H, (H,18,22); WTHWBOWCSOCLLT-UHFFFAOYSA-N |
c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br) F; Oc1cc(O)c(cc1Br)C2=NNC(=O)N2c3ccccc3F |
5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one |
| 7829 | 6DM | 0 | C12 H22 O11 | InChI=1S/C12H22O11/c13-1- 3-5(14)8(17)10(19)12(23-3 )21-2-4-6(15)7(16)9(18)11 (20)22-4/h3-20H,1-2H2/t3- ,4-,5-,6-,7+,8+,9+,10+,11 +,12+/m1/s1; DLRVVLDZNNYCBX-ONPLHCRPSA-N |
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC [C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O) O)O)O)O)O)O; OC[CH]1O[CH](OC[CH]2O[CH](O )[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH] 1O; OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@ H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O )[C@@H]1O; C(C1C(C(C(C(O1)OCC2C(C(C(C(O2 )O)O)O)O)O)O)O)O; C(C1C(O)C(O)C(O)C(O1)O )OC2C(C(O)C(C(O2)CO)O)O |
6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose; alpha 1,6 mannobiose |
| 7830 | 6DN ZINC000002599098 |
0 | C8 H16 N2 O4 | InChI=1S/C8H16N2O4/c9-6(8 (13)14)3-1-2-4-10-5-7(11) 12/h6,10H,1-5,9H2,(H,11,1 2)(H,13,14)/t6-/m0/s1; NUXSIDPKKIEIMI-LURJTMIESA-N |
N[CH](CCCCNCC(O)=O)C(O)=O; N[C@@H](CCCCN CC(O)=O)C(O)=O; C(CCNCC(=O)O)CC(C(=O)O)N ; C(CCNCC(=O)O)C[C@@H](C(=O)O)N |
(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid |
| 7831 | 6DO CHEMBL3359822 ZINC000167866935 |
3 | C39 H65 N5 O8 | InChI=1S/C39H65N5O8/c1-12 -25(6)34(43(9)38(48)33(24 (4)5)42-37(47)32(40-8)23( 2)3)30(51-10)22-31(45)44- 20-16-19-29(44)35(52-11)2 6(7)36(46)41-28(39(49)50) 21-27-17-14-13-15-18-27/h 13-15,17-18,23-26,28-30,3 2-35,40H,12,16,19-22H2,1- 11H3,(H,41,46)(H,42,47)(H ,49,50)/t25-,26+,28-,29-, 30+,32-,33-,34-,35+/m0/s1; MFRNYXJJRJQHNW-DEMKXPNLSA-N |
CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(Cc2 ccccc2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC( =O)C(C(C)C)NC; CC[C@H](C)[C@@H]([C@@H](C C(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C @@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@ H](C(C)C)NC(=O)[C@H](C(C)C)NC; CC[C@H](C )[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC )[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(O)=O) OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C )C(C)C; CC[CH](C)[CH]([CH](CC(=O)N1CCC[C H]1[CH](OC)[CH](C)C(=O)N[CH](Cc2ccccc2)C (O)=O)OC)N(C)C(=O)[CH](NC(=O)[CH](NC)C(C )C)C(C)C |
(2~{S})-2-[[(2~{R},3~{R})-3-methoxy-3-[(2~{S})-1-[(3~{R},4~{S},5~{S})-3-methoxy-5-methyl-4-[methyl-[(2~{S})-3-methyl-2-[[(2~{S})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid |
| 7832 | 6DP CHEMBL1703303 ZINC000001395175 |
1 | C8 H9 N3 O2 S | InChI=1S/C8H9N3O2S/c1-14( 12,13)11-8-4-2-3-7-6(8)5- 9-10-7/h2-5,11H,1H3,(H,9, 10); CAMWAWBWBXRPRP-UHFFFAOYSA-N |
CS(=O)(=O)Nc1cccc2c1cn[nH]2; C[S](=O)(=O )Nc1cccc2[nH]ncc12 |
~{N}-(1~{H}-indazol-4-yl)methanesulfonamide |
| 7833 | 6DQ ZINC000033975875 |
8 | C13 H8 N2 O S | InChI=1S/C13H8N2OS/c16-12 -10-5-1-2-6-11(10)17-13(1 5-12)9-4-3-7-14-8-9/h1-8H; PKPRJBMZCMHZGS-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3; O=C1N=C (Sc2ccccc12)c3cccnc3 |
2-pyridin-3-yl-1,3-benzothiazin-4-one |
| 7834 | 6DR CHEMBL3526249 ZINC000095921195 |
6 | C21 H21 N5 O | InChI=1S/C21H21N5O/c1-3-1 8-17(20(22)26-21(23)25-18 )6-4-5-16-13-15(7-8-19(16 )27-2)14-9-11-24-12-10-14 /h7-13H,3,5H2,1-2H3,(H4,2 2,23,25,26); CZCHMGRCEXJPTP-UHFFFAOYSA-N |
CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccnc c3; n3c(c(C#CCc2cc(c1ccncc1)ccc2OC)c(nc3 N)N)CC; CCc1nc(N)nc(N)c1C#CCc2cc(ccc2OC) c3ccncc3 |
6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine |
| 7835 | 6DS CHEMBL2348360 ZINC000095593271 |
1 | C29 H34 F6 O5 | InChI=1S/C29H34F6O5/c1-5- 26(6-2,22-9-11-24(19(4)16 -22)40-17-23(36)10-12-25( 37)38)21-8-7-20(18(3)15-2 1)13-14-27(39,28(30,31)32 )29(33,34)35/h7-9,11,13-1 6,23,36,39H,5-6,10,12,17H 2,1-4H3,(H,37,38)/b14-13+ /t23-/m0/s1; BUDPSVAPFSMBAY-ZVQQDINOSA-N |
CCC(CC)(c1ccc(OC[C@@H](O)CCC(O)=O)c(C)c1 )c2ccc(/C=C/C(O)(C(F)(F)F)C(F)(F)F)c(C)c 2; CCC(CC)(c1ccc(c(c1)C)C=CC(C(F)(F)F)(C (F)(F)F)O)c2ccc(c(c2)C)OCC(CCC(=O)O)O; C CC(CC)(c1ccc(OC[CH](O)CCC(O)=O)c(C)c1)c2 ccc(C=CC(O)(C(F)(F)F)C(F)(F)F)c(C)c2; CC C(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F) (F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O; FC(F)(F)C(O)(/C=C/c1ccc(cc1C)C(c2ccc(OCC (O)CCC(=O)O)c(c2)C)(CC)CC)C(F)(F)F |
(4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid |
| 7836 | 6DT CHEMBL1253915 ZINC000064437004 |
2 | C20 H16 N6 O | InChI=1S/C20H16N6O/c1-26- 11-10-17-18(26)19(22-12-2 1-17)27-14-8-6-13(7-9-14) 23-20-24-15-4-2-3-5-16(15 )25-20/h2-12H,1H3,(H2,23, 24,25); YXAQBFXRVSBMEL-UHFFFAOYSA-N |
Cn1ccc2ncnc(Oc3ccc(Nc4[nH]c5ccccc5n4)cc3 )c12; Cn1ccc2c1c(ncn2)Oc3ccc(cc3)Nc4[nH] c5ccccc5n4 |
N-(4-((5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1H-benzimidazol-2-amine |
| 7837 | 6DU ZINC000002504998 |
0 | C9 H10 Br N O2 | InChI=1S/C9H10BrNO2/c10-7 -4-2-1-3-6(7)5-8(11)9(12) 13/h1-4,8H,5,11H2,(H,12,1 3)/t8-/m0/s1; JFVLNTLXEZDFHW-QMMMGPOBSA-N |
c1ccc(c(c1)CC(C(=O)O)N)Br; O=C(C(N)Cc1c( Br)cccc1)O; N[CH](Cc1ccccc1Br)C(O)=O; c1 ccc(c(c1)C[C@@H](C(=O)O)N)Br; N[C@@H](Cc 1ccccc1Br)C(O)=O |
2-bromo-L-phenylalanine |
| 7838 | 6DV CHEMBL184061 ZINC000028382298 |
1 | C20 H21 F2 N9 O | InChI=1S/C20H21F2N9O/c21- 13-3-4-15(14(22)12-13)30- 9-7-29(8-10-30)6-5-24-19- 26-18(23)31-20(27-19)25-1 7(28-31)16-2-1-11-32-16/h 1-4,11-12H,5-10H2,(H3,23, 24,25,26,27,28); NJQVZARFMYPNOT-UHFFFAOYSA-N |
Nc1nc(NCCN2CCN(CC2)c3ccc(F)cc3F)nc4nc(nn 14)c5occc5; c1cc(oc1)c2nc3nc(nc(n3n2)N)N CCN4CCN(CC4)c5ccc(cc5F)F; C4N(CCN(CCNc3n c(N)n1c(nc(n1)c2ccco2)n3)C4)c5ccc(cc5F)F |
N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
| 7839 | 6DW CHEMBL3814662 ZINC000148670609 |
2 | C28 H27 N7 O2 | InChI=1S/C28H27N7O2/c36-2 7-25(37-17-16-32-14-15-34 -23-9-5-4-8-22(23)30-28(3 2)34)19-33(18-20-10-11-20 )31-26(27)24-12-13-29-35( 24)21-6-2-1-3-7-21/h1-9,1 2-13,19-20H,10-11,14-18H2; PMQGNBOUOYQTPQ-UHFFFAOYSA-N |
c1ccc(cc1)n2c(ccn2)C3=NN(C=C(C3=O)OCCN4C Cn5c4nc6c5cccc6)CC7CC7; O=C1C(=CN(CC2CC2 )N=C1c3ccnn3c4ccccc4)OCCN5CCn6c7ccccc7nc 56 |
1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one |
| 7840 | 6DX CHEMBL187810 ZINC000028390122 |
1 | C21 H25 N9 O | InChI=1S/C21H25N9O/c22-19 -25-20(26-21-24-18(27-30( 19)21)17-8-4-15-31-17)23- 9-5-10-28-11-13-29(14-12- 28)16-6-2-1-3-7-16/h1-4,6 -8,15H,5,9-14H2,(H3,22,23 ,24,25,26,27); ATLUGIZVRICDDK-UHFFFAOYSA-N |
Nc1nc(NCCCN2CCN(CC2)c3ccccc3)nc4nc(nn14) c5occc5; C2N(CCN(c1ccccc1)C2)CCCNc5nc(N) n3c(nc(n3)c4ccco4)n5; c1ccc(cc1)N2CCN(CC 2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N |
2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
| 7841 | 6DY CHEMBL3937413 ZINC000221136627 |
1 | C21 H24 N8 O | InChI=1S/C21H24N8O/c22-19 -25-20(26-21-24-18(27-29( 19)21)17-7-4-14-30-17)23- 10-13-28-11-8-16(9-12-28) 15-5-2-1-3-6-15/h1-7,14,1 6H,8-13H2,(H3,22,23,24,25 ,26,27); WUOOFKSGLYZAKD-UHFFFAOYSA-N |
Nc1nc(NCCN2CCC(CC2)c3ccccc3)nc4nc(nn14)c 5occc5; C1CN(CCC1c2ccccc2)CCNc5nc(N)n3c( nc(n3)c4ccco4)n5; c1ccc(cc1)C2CCN(CC2)CC Nc3nc(n4c(n3)nc(n4)c5ccco5)N |
2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
| 7842 | 6DZ CHEMBL3934661 ZINC000584904751 |
1 | C15 H21 N9 O | InChI=1S/C15H21N9O/c1-22- 6-8-23(9-7-22)5-4-17-14-1 9-13(16)24-15(20-14)18-12 (21-24)11-3-2-10-25-11/h2 -3,10H,4-9H2,1H3,(H3,16,1 7,18,19,20,21); NLHRMBTYEDTOKC-UHFFFAOYSA-N |
CN1CCN(CCNc2nc(N)n3nc(nc3n2)c4occc4)CC1; n1c(nn3c1nc(NCCN2CCN(C)CC2)nc3N)c4ccco4 ; CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco 4)N |
2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine |
| 7843 | 6E0 CHEMBL190741 ZINC000006921200 |
3 | C18 H39 O3 P | InChI=1S/C18H39O3P/c1-2-3 -4-5-6-7-8-9-10-11-12-13- 14-15-16-17-18-22(19,20)2 1/h2-18H2,1H3,(H2,19,20,2 1); FTMKAMVLFVRZQX-UHFFFAOYSA-N |
CCCCCCCCCCCCCCCCCCP(=O)(O)O; C(CCCCCCCCC CCCCC)CCCP(O)(=O)O; CCCCCCCCCCCCCCCCCC[P ](O)(O)=O |
octadecylphosphonic acid |
| 7844 | 6E1 | 1 | C28 H28 F8 N2 O12 S | InChI=1S/C28H28F8N2O12S/c 1-47-23-13(33)9(29)7(10(3 0)14(23)34)25(45)37-17-19 (41)5(3-39)49-27(21(17)43 )51-28-22(44)18(20(42)6(4 -40)50-28)38-26(46)8-11(3 1)15(35)24(48-2)16(36)12( 8)32/h5-6,17-22,27-28,39- 44H,3-4H2,1-2H3,(H,37,45) (H,38,46)/t5-,6-,17+,18+, 19+,20+,21-,22-,27+,28+/m 1/s1; ZLQVWZMNOBVEMR-RIEDQWIWSA-N |
COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H ](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C @H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F) OC)F)F)O)CO)O)F)F; COc1c(c(c(c(c1F)F)C(= O)NC2C(C(OC(C2O)SC3C(C(C(C(O3)CO)O)NC(=O )c4c(c(c(c(c4F)F)OC)F)F)O)CO)O)F)F; COc1 c(F)c(F)c(C(=O)N[CH]2[CH](O)[CH](CO)O[CH ](S[CH]3O[CH](CO)[CH](O)[CH](NC(=O)c4c(F )c(F)c(OC)c(F)c4F)[CH]3O)[CH]2O)c(F)c1F; c4(c(OC)c(F)c(c(C(NC3C(C(SC2C(C(NC(c1c( F)c(c(OC)c(F)c1F)F)=O)C(O)C(O2)CO)O)OC(C 3O)CO)O)=O)c4F)F)F; COc1c(F)c(F)c(C(=O)N [C@H]2[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H] 3O[C@H](CO)[C@H](O)[C@H](NC(=O)c4c(F)c(F )c(OC)c(F)c4F)[C@H]3O)[C@@H]2O)c(F)c1F |
3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside |
| 7845 | 6E2 CHEMBL3218576 DB12483 ZINC000068247389 |
1 | C23 H28 N8 O4 | InChI=1S/C23H28N8O4/c1-33 -19-17(35-10-2-6-30-8-11- 34-12-9-30)4-3-16-18(19)2 8-23(31-7-5-25-20(16)31)2 9-21(32)15-13-26-22(24)27 -14-15/h3-4,13-14H,2,5-12 H2,1H3,(H2,24,26,27)(H,28 ,29,32); PZBCKZWLPGJMAO-UHFFFAOYSA-N |
COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)N C(=O)c5cnc(N)nc5; COc1c(ccc2c1N=C(N3C2=N CC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5 |
2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide |
| 7846 | 6E3 ZINC000014983633 |
5 | C10 H12 N2 O2 | InChI=1S/C10H12N2O2/c1-5- 7(3)11-8(4)6(2)10(14)12(1 1)9(5)13/h1-4H3; VWKNUUOGGLNRNZ-UHFFFAOYSA-N |
CC1=C(C)C(=O)N2N1C(=C(C)C2=O)C; CC1=C(N2 C(=C(C(=O)N2C1=O)C)C)C; O=C1C(=C(C)N2N1C (C(C)=C2C)=O)C |
2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione |
| 7847 | 6E4 ZINC000002555105 |
0 | C5 H11 N3 O2 | InChI=1S/C5H11N3O2/c6-3(5 (8)10)1-2-4(7)9/h3H,1-2,6 H2,(H2,7,9)(H2,8,10)/t3-/ m0/s1; LCGISIDBXHGCDW-VKHMYHEASA-N |
C(CC(=O)N)C(C(=O)N)N; N[C@@H](CCC(N)=O)C (N)=O; N[CH](CCC(N)=O)C(N)=O; C(CC(=O)N) [C@@H](C(=O)N)N; NC(CCC(N)C(N)=O)=O |
L-glutamamide |
| 7848 | 6E5 CHEMBL3325614 ZINC000098208545 |
5 | C29 H31 N5 O2 S2 | InChI=1S/C29H31N5O2S2/c30 -28(26-9-3-11-37-26)33-22 -7-1-5-20(13-22)17-35-19- 24-15-25(16-32-24)36-18-2 1-6-2-8-23(14-21)34-29(31 )27-10-4-12-38-27/h1-14,2 4-25,32H,15-19H2,(H2,30,3 3)(H2,31,34)/t24-,25-/m0/ s1; GPVRORSBZUBDJB-DQEYMECFSA-N |
c1cc(cc(c1)NC(=N)c2cccs2)COCC3CC(CN3)OCc 4cccc(c4)NC(=N)c5cccs5; N=C(Nc1cccc(COC[ C@@H]2C[C@@H](CN2)OCc3cccc(NC(=N)c4sccc4 )c3)c1)c5sccc5; [H]/N=C(/c1cccs1)\Nc2ccc c(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N /C(=N\[H])/c5cccs5; s1cccc1C(=[N@H])Nc2c ccc(c2)COCC5NCC(OCc3cc(ccc3)NC(=[N@H])c4 sccc4)C5; N=C(Nc1cccc(COC[CH]2C[CH](CN2) OCc3cccc(NC(=N)c4sccc4)c3)c1)c5sccc5 |
N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide |
| 7849 | 6E6 CHEMBL3780415 ZINC000221785437 |
1 | C26 H27 F3 N6 O2 S | InChI=1S/C26H27F3N6O2S/c2 7-26(28,29)10-21-9-22-24( 31-15-32-25(22)38-21)33-1 8-3-5-34(6-4-18)12-16-1-2 -23-17(7-16)8-19(11-30)35 (23)13-20(37)14-36/h1-2,7 -9,15,18,20,36-37H,3-6,10 ,12-14H2,(H,31,32,33)/t20 -/m1/s1; KCTFIWDZXROTJT-HXUWFJFHSA-N |
OC[C@H](O)Cn1c(cc2cc(CN3CCC(CC3)Nc4ncnc5 sc(CC(F)(F)F)cc45)ccc12)C#N; c1cc2c(cc1C N3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n 2CC(CO)O)C#N; c45c(c(NC1CCN(CC1)Cc2cc3c( cc2)n(c(c3)C#N)CC(O)CO)ncn4)cc(CC(F)(F)F )s5; c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn 4)CC(F)(F)F)cc(n2C[C@H](CO)O)C#N; OC[CH] (O)Cn1c(cc2cc(CN3CCC(CC3)Nc4ncnc5sc(CC(F )(F)F)cc45)ccc12)C#N |
1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
| 7850 | 6E7 CHEMBL2169917 ZINC000095556198 |
1 | C20 H17 N3 O3 | InChI=1S/C20H17N3O3/c24-1 9(23-9-6-14-4-2-1-3-5-14) 15-7-10-21-17(12-15)18-13 -16(20(25)26)8-11-22-18/h 1-5,7-8,10-13H,6,9H2,(H,2 3,24)(H,25,26); DSGOLESVOJUGOK-UHFFFAOYSA-N |
c1ccc(cc1)CCNC(=O)c2ccnc(c2)c3cc(ccn3)C( =O)O; OC(=O)c1ccnc(c1)c2cc(ccn2)C(=O)NCC c3ccccc3; c1(cc(ccn1)C(NCCc2ccccc2)=O)c3 nccc(C(=O)O)c3 |
4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid |
| 7851 | 6E8 CHEMBL4468119 ZINC000126409148 |
1 | C11 H12 N4 O | InChI=1S/C11H12N4O/c1-6(2 )9-7(3)14-10-8(4-12)5-13- 15(10)11(9)16/h5-6,14H,1- 3H3; UHVUUCAAVHIPKM-UHFFFAOYSA-N |
CC1=C(C(=O)n2c(c(cn2)C#N)N1)C(C)C; CC(C) C1=C(C)Nc2n(ncc2C#N)C1=O; c2nn1C(=O)C(C( C)C)=C(C)Nc1c2C#N |
5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| 7852 | 6E9 CHEMBL3963651 ZINC000584905012 |
1 | C16 H15 N3 O5 S | InChI=1S/C16H15N3O5S/c1-1 9(10-4-3-5-11(8-10)24-2)2 5(22,23)12-6-7-13-14(9-12 )18-16(21)15(20)17-13/h3- 9H,1-2H3,(H,17,20)(H,18,2 1); ZYUVUTFKMHIMBV-UHFFFAOYSA-N |
CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(= O)C(=O)N3; COc1cccc(c1)N(C)[S](=O)(=O)c2 ccc3NC(=O)C(=O)Nc3c2; N1C(=O)C(=O)Nc2c1c cc(c2)S(=O)(=O)N(C)c3cc(ccc3)OC |
N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide |
| 7853 | 6EA CHEMBL207496 DB07204 ZINC000014957568 |
1 | C24 H21 N5 O | InChI=1S/C24H21N5O/c25-18 (11-17-12-28-22-4-2-1-3-1 9(17)22)15-30-24-14-27-13 -23-20(24)5-6-21(29-23)16 -7-9-26-10-8-16/h1-10,12- 14,18,28H,11,15,25H2/t18- /m0/s1; DQIXTEDFNFZMCM-SFHVURJKSA-N |
N[CH](COc1cncc2nc(ccc12)c3ccncc3)Cc4c[nH ]c5ccccc45; n1ccc(cc1)c2nc5c(cc2)c(OCC(N )Cc4c3ccccc3nc4)cnc5; c1ccc2c(c1)c(c[nH] 2)CC(COc3cncc4c3ccc(n4)c5ccncc5)N; c1ccc 2c(c1)c(c[nH]2)C[C@@H](COc3cncc4c3ccc(n4 )c5ccncc5)N; N[C@H](COc1cncc2nc(ccc12)c3 ccncc3)Cc4c[nH]c5ccccc45 |
(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE |
| 7854 | 6EB CHEMBL3787534 ZINC000584904707 |
1 | C15 H14 F3 N5 O2 | InChI=1S/C15H14F3N5O2/c1- 23-7-10(20-8-23)12-11-9(3 -5-19-12)13(24)22-14(21-1 1)25-6-2-4-15(16,17)18/h3 ,5,7-8H,2,4,6H2,1H3,(H,21 ,22,24); GVIVKUKLHYWHES-UHFFFAOYSA-N |
Cn1cnc(c1)c2nccc3c(O)nc(OCCCC(F)(F)F)nc2 3; c3(OCCCC(F)(F)F)nc(O)c2c(c(c1ncn(C)c1 )ncc2)n3; Cn1cc(nc1)c2c3c(ccn2)c(nc(n3)O CCCC(F)(F)F)O |
8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol |
| 7855 | 6EC CHEMBL4740940 ZINC000584904675 |
2 | C20 H16 N2 O4 | InChI=1S/C20H16N2O4/c23-1 8-10-9-16(12-17(18)19(24) 25)22-20(26)21-15-8-4-7-1 4(11-15)13-5-2-1-3-6-13/h 1-12,23H,(H,24,25)(H2,21, 22,26); BRISALGJKGCDGB-UHFFFAOYSA-N |
OC(c1c(O)ccc(c1)NC(=O)Nc2cccc(c2)c3ccccc 3)=O; OC(=O)c1cc(NC(=O)Nc2cccc(c2)c3cccc c3)ccc1O; c1ccc(cc1)c2cccc(c2)NC(=O)Nc3c cc(c(c3)C(=O)O)O |
5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid |
| 7856 | 6ED ZINC000149681799 |
1 | C20 H20 F3 N5 O2 | InChI=1S/C20H20F3N5O2/c21 -13-1-2-17-15(11-13)18(25 -16-12-24-6-3-14(16)19(29 )30)26-28(17)10-9-27-7-4- 20(22,23)5-8-27/h1-3,6,11 -12H,4-5,7-10H2,(H,25,26) (H,29,30); QVELLOOBNULIGQ-UHFFFAOYSA-N |
n3c(Nc1c(C(O)=O)ccnc1)c2c(ccc(c2)F)n3CCN 4CCC(CC4)(F)F; OC(=O)c1ccncc1Nc2nn(CCN3C CC(F)(F)CC3)c4ccc(F)cc24; c1cc2c(cc1F)c( nn2CCN3CCC(CC3)(F)F)Nc4cnccc4C(=O)O |
3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid |
| 7857 | 6EE CHEMBL3828743 ZINC000222624903 |
4 | C30 H30 Cl F6 N5 O4 | InChI=1S/C30H30ClF6N5O4/c 31-18-3-1-16(2-4-18)26(17 -7-19(32)9-20(33)8-17)27( 38)28(43)42-25-12-39-11-2 4(34)23(25)6-5-22-10-40-2 1(13-45-22)14-46-29(44)41 -15-30(35,36)37/h1-4,7-9, 11-12,21-22,26-27,40H,5-6 ,10,13-15,38H2,(H,41,44)( H,42,43)/t21-,22+,26-,27- /m0/s1; OUUHZXOSBUCFJO-ZKBLBJRCSA-N |
N[C@@H]([C@@H](c1ccc(Cl)cc1)c2cc(F)cc(F) c2)C(=O)Nc3cncc(F)c3CC[C@@H]4CN[C@@H](CO 4)COC(=O)NCC(F)(F)F; N[CH]([CH](c1ccc(Cl )cc1)c2cc(F)cc(F)c2)C(=O)Nc3cncc(F)c3CC[ CH]4CN[CH](CO4)COC(=O)NCC(F)(F)F; c1cc(c cc1C(c2cc(cc(c2)F)F)C(C(=O)Nc3cncc(c3CCC 4CNC(CO4)COC(=O)NCC(F)(F)F)F)N)Cl; C1NC( COC1CCc2c(cncc2NC(=O)C(C(c3ccc(cc3)Cl)c4 cc(cc(c4)F)F)N)F)COC(=O)NCC(F)(F)F; c1cc (ccc1[C@@H](c2cc(cc(c2)F)F)[C@@H](C(=O)N c3cncc(c3CC[C@@H]4CN[C@@H](CO4)COC(=O)NC C(F)(F)F)F)N)Cl |
(betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide |
| 7858 | 6EF CHEMBL3827353 ZINC000584904748 |
2 | C38 H42 N4 O6 | InChI=1S/C38H42N4O6/c1-46 -38(45)42-35(34(29-16-7-3 -8-17-29)30-18-9-4-10-19- 30)36(43)41-33-20-12-11-1 5-28(33)21-22-32-24-39-31 (25-47-32)26-48-37(44)40- 23-27-13-5-2-6-14-27/h2-2 0,31-32,34-35,39H,21-26H2 ,1H3,(H,40,44)(H,41,43)(H ,42,45)/t31-,32+,35-/m0/s 1; MYPZZBCHYVILMP-UKAHRKLESA-N |
COC(=O)NC(C(c1ccccc1)c2ccccc2)C(=O)Nc3cc ccc3CCC4CNC(CO4)COC(=O)NCc5ccccc5; COC(= O)N[CH](C(c1ccccc1)c2ccccc2)C(=O)Nc3cccc c3CC[CH]4CN[CH](CO4)COC(=O)NCc5ccccc5; C (OC)(NC(C(=O)Nc3c(CCC1CNC(CO1)COC(=O)NCc 2ccccc2)cccc3)C(c4ccccc4)c5ccccc5)=O; CO C(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc 3ccccc3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCc5 ccccc5 |
N-(2-{2-[(2R,5S)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide |
| 7859 | 6EG ZINC000584904759 |
2 | C34 H38 N4 O4 | InChI=1S/C34H38N4O4/c1-42 -34(41)38-32(31(26-11-4-2 -5-12-26)27-13-6-3-7-14-2 7)33(40)37-30-15-9-8-10-2 5(30)18-21-29(23-39)36-22 -24-16-19-28(35)20-17-24/ h2-17,19-20,29,31-32,36,3 9H,18,21-23,35H2,1H3,(H,3 7,40)(H,38,41)/t29-,32-/m 0/s1; OMLKMYZREOOQQQ-NYDCQLBNSA-N |
COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O) Nc3ccccc3CC[C@@H](CO)NCc4ccc(cc4)N; COC( =O)NC(C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3 CCC(CO)NCc4ccc(cc4)N; C(CC(NCc1ccc(cc1)N )CO)c2ccccc2NC(=O)C(NC(=O)OC)C(c3ccccc3) c4ccccc4; COC(=O)N[C@@H](C(c1ccccc1)c2cc ccc2)C(=O)Nc3ccccc3CC[C@@H](CO)NCc4ccc(N )cc4; COC(=O)N[CH](C(c1ccccc1)c2ccccc2)C (=O)Nc3ccccc3CC[CH](CO)NCc4ccc(N)cc4 |
N-{2-[(3S)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide |
| 7860 | 6EH ZINC000584904731 |
2 | C24 H31 N3 O4 | InChI=1S/C24H31N3O4/c1-30 -24(29)27-22(23(28)26-14- 8-13-20-17-25-15-16-31-20 )21(18-9-4-2-5-10-18)19-1 1-6-3-7-12-19/h2-7,9-12,2 0-22,25H,8,13-17H2,1H3,(H ,26,28)(H,27,29)/t20-,22+ /m1/s1; JLOXTJQCNGOWCO-IRLDBZIGSA-N |
COC(=O)NC(C(c1ccccc1)c2ccccc2)C(=O)NCCCC 3CNCCO3; COC(=O)N[C@@H](C(c1ccccc1)c2ccc cc2)C(=O)NCCC[C@@H]3CNCCO3; C3NCC(CCCNC( =O)C(C(c1ccccc1)c2ccccc2)NC(OC)=O)OC3; C OC(=O)N[CH](C(c1ccccc1)c2ccccc2)C(=O)NCC C[CH]3CNCCO3 |
Nalpha-(methoxycarbonyl)-N-{3-[(2R)-morpholin-2-yl]propyl}-beta-phenyl-L-phenylalaninamide |
| 7861 | 6EI CHEMBL4551850 ZINC000008318019 |
3 | C7 H8 O4 S | InChI=1S/C7H8O4S/c1-6-2-4 -7(5-3-6)11-12(8,9)10/h2- 5H,1H3,(H,8,9,10); WGNAKZGUSRVWRH-UHFFFAOYSA-N |
Cc1ccc(cc1)OS(=O)(=O)O; Cc1ccc(O[S](O)(= O)=O)cc1 |
(4-methylphenyl) hydrogen sulfate; p-Cresol sulfate |
| 7862 | 6EJ CHEMBL3793226 DB15345 ZINC000138115734 |
6 | C24 H26 F N5 O3 | InChI=1S/C24H26FN5O3/c25- 19-3-1-15-2-4-21(31)30-14 -16(22(19)23(15)30)13-29- 7-5-17(6-8-29)26-12-18-11 -20-24(28-27-18)33-10-9-3 2-20/h1-4,11,16-17,26H,5- 10,12-14H2/t16-/m1/s1; SRICOHRDRMZREQ-MRXNPFEDSA-N |
Fc1ccc2C=CC(=O)N3C[CH](CN4CCC(CC4)NCc5cc 6OCCOc6nn5)c1c23; Fc1ccc2C=CC(=O)N3C[C@@ H](CN4CCC(CC4)NCc5cc6OCCOc6nn5)c1c23; c1 cc(c2c3c1C=CC(=O)N3CC2CN4CCC(CC4)NCc5cc6 c(nn5)OCCO6)F; c1cc(c2c3c1C=CC(=O)N3C[C@ H]2CN4CCC(CC4)NCc5cc6c(nn5)OCCO6)F; c6c1 c2c(C(CN2C(C=C1)=O)CN3CCC(CC3)NCc5cc4OCC Oc4nn5)c(c6)F |
(1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one |
| 7863 | 6EK ZINC000584904856 |
1 | C24 H35 Cl N10 O10 | InChI=1S/C24H35ClN10O10/c 25-22-29-7-13(34-22)17(38 )16(21(42)43)35-19(40)11( 4-9-6-30-23(26)31-9)32-18 (39)12(5-10(36)8-45-24(27 )44)33-20(41)15-14(37)2-1 -3-28-15/h6-7,10-12,14-17 ,28,36-38H,1-5,8H2,(H2,27 ,44)(H,29,34)(H,32,39)(H, 33,41)(H,35,40)(H,42,43)( H3,26,30,31)/t10-,11-,12- ,14-,15-,16-,17+/m0/s1; UFNFLYFKIYFJJJ-PLHJXKGHSA-N |
c1c([nH]c(n1)N)CC(C(=O)NC(C(c2cnc([nH]2) Cl)O)C(=O)O)NC(=O)C(CC(COC(=O)N)O)NC(=O) C3C(CCCN3)O; c1c([nH]c(n1)N)C[C@@H](C(=O )N[C@@H]([C@@H](c2cnc([nH]2)Cl)O)C(=O)O) NC(=O)[C@H](C[C@@H](COC(=O)N)O)NC(=O)[C@ @H]3[C@H](CCCN3)O; NC(=O)OC[CH](O)C[CH]( NC(=O)[CH]1NCCC[CH]1O)C(=O)N[CH](Cc2[nH] c(N)nc2)C(=O)N[CH]([CH](O)c3[nH]c(Cl)nc3 )C(O)=O; NC(=O)OC[C@@H](O)C[C@H](NC(=O)[ C@H]1NCCC[C@@H]1O)C(=O)N[C@@H](Cc2[nH]c( N)nc2)C(=O)N[C@@H]([C@H](O)c3[nH]c(Cl)nc 3)C(O)=O; C(=O)(C(Cc1nc(N)nc1)NC(C(NC(C2 NCCCC2O)=O)CC(COC(N)=O)O)=O)NC(C(O)=O)C( O)c3cnc(n3)Cl |
|
| 7864 | 6EL CHEMBL558551 ZINC000001530948 |
17 | C13 H10 N2 O4 | InChI=1S/C13H10N2O4/c16-1 0-6-5-9(11(17)14-10)15-12 (18)7-3-1-2-4-8(7)13(15)1 9/h1-4,9H,5-6H2,(H,14,16, 17)/t9-/m1/s1; UEJJHQNACJXSKW-SECBINFHSA-N |
O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N1; c1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O; c 1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3= O; O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O )N1 |
2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione |
| 7865 | 6EM ZINC000584904739 |
1 | C7 H17 N2 O | InChI=1S/C7H16N2O/c1-5-6( 7(8)10)9(2,3)4/h6H,5H2,1- 4H3,(H-,8,10)/p+1/t6-/m0/ s1; LPOFDMFKBRMZLU-LURJTMIESA-O |
CC[C@@H](C(=O)N)[N+](C)(C)C; CC[C@@H](C( N)=O)[N+](C)(C)C; CCC(C(=O)N)[N+](C)(C)C ; CC[CH](C(N)=O)[N+](C)(C)C |
(2S)-1-amino-N,N,N-trimethyl-1-oxobutan-2-aminium |
| 7866 | 6EN CHEMBL5277662 ZINC000149571461 |
1 | C14 H12 N4 O2 | InChI=1S/C14H12N4O2/c1-18 -8-12(9-3-2-5-16-13(9)18) 17-11-7-15-6-4-10(11)14(1 9)20/h2-8,17H,1H3,(H,19,2 0); RBGNHCYGFBRIRO-UHFFFAOYSA-N |
Cn1cc(Nc2cnccc2C(O)=O)c3cccnc13; Cn1cc(c 2c1nccc2)Nc3cnccc3C(=O)O; c13ncccc1c(Nc2 c(C(O)=O)ccnc2)cn3C |
3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid |
| 7867 | 6EO CHEMBL5278205 |
1 | C14 H11 Cl N2 O3 | InChI=1S/C14H11ClN2O3/c15 -10-3-1-9(2-4-10)7-13(18) 17-12-8-16-6-5-11(12)14(1 9)20/h1-6,8H,7H2,(H,17,18 )(H,19,20); BGMIWCIVXVXHDU-UHFFFAOYSA-N |
OC(=O)c1ccncc1NC(=O)Cc2ccc(Cl)cc2; c1cc( ccc1CC(=O)Nc2cnccc2C(=O)O)Cl; c1c(ccc(c1 )Cl)CC(Nc2cnccc2C(=O)O)=O |
3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid |
| 7868 | 6EP CHEMBL3786952 |
1 | C17 H14 Cl N3 O3 | InChI=1S/C17H14ClN3O3/c1- 11-8-14(18)3-2-13(11)10-2 4-16-5-7-20-21(16)15-9-12 (17(22)23)4-6-19-15/h2-9H ,10H2,1H3,(H,22,23); PSOBPHXKKHPWMU-UHFFFAOYSA-N |
Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl; Cc1cc(Cl)ccc1COc2ccnn2c3cc(ccn3)C(O)=O; c2c(n(c1cc(ccn1)C(=O)O)nc2)OCc3ccc(Cl)cc 3C |
2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid |
| 7869 | 6EQ CHEMBL4760385 ZINC000584904696 |
2 | C20 H16 N2 O4 | InChI=1S/C20H16N2O4/c23-1 8-12-16(9-10-17(18)19(24) 25)22-20(26)21-15-8-4-7-1 4(11-15)13-5-2-1-3-6-13/h 1-12,23H,(H,24,25)(H2,21, 22,26); FJUJZHPFSHEAMU-UHFFFAOYSA-N |
c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)O) C(=O)O; c1c(O)c(C(O)=O)ccc1NC(=O)Nc2cccc (c2)c3ccccc3; OC(=O)c1ccc(NC(=O)Nc2cccc( c2)c3ccccc3)cc1O |
4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid |
| 7870 | 6ER | 3 | C20 H41 N O8 P | InChI=1S/C20H41NO8P/c1-6- 8-10-12-19(22)26-16-18(29 -20(23)13-11-9-7-2)17-28- 30(24,25)27-15-14-21(3,4) 5/h18,24H,6-17H2,1-5H3/t1 8-/m0/s1; ZQODAMILHYQXDS-SFHVURJKSA-N |
CCCCCC(=O)OC[CH](CO[P]([OH-])(=O)OCC[N+] (C)(C)C)OC(=O)CCCCC; CCCCCC(=O)OC[C@@H]( CO[P]([OH-])(=O)OCC[N+](C)(C)C)OC(=O)CCC CC; CCCCCC(=O)OCC(COP(=O)([OH-])OCC[N+]( C)(C)C)OC(=O)CCCCC; CCCCCC(=O)OC[C@@H](C OP(=O)([OH-])OCC[N+](C)(C)C)OC(=O)CCCCC |
(S)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate |
| 7871 | 6ES ZINC000584904963 |
4 | C24 H45 O13 P | InChI=1S/C24H45O13P/c1-3- 5-7-8-9-10-11-13-18(26)36 -16(14-34-17(25)12-6-4-2) 15-35-38(32,33)37-24-22(3 0)20(28)19(27)21(29)23(24 )31/h16,19-24,27-31H,3-15 H2,1-2H3,(H,32,33)/t16-,1 9-,20-,21-,22+,23-,24+/m0 /s1; YWVFSDQOBMMIAJ-CLASQLQRSA-N |
CCCCCCCCCC(=O)OC(COC(=O)CCCC)COP(=O)(O)O C1C(C(C(C(C1O)O)O)O)O; CCCCCCCCCC(=O)O[C H](COC(=O)CCCC)CO[P](O)(=O)O[CH]1[CH](O) [CH](O)[CH](O)[CH](O)[CH]1O; CCCCC(OCC(C OP(O)(OC1C(C(C(C(C1O)O)O)O)O)=O)OC(=O)CC CCCCCCC)=O; CCCCCCCCCC(=O)O[C@@H](COC(=O )CCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@@H] ([C@@H]1O)O)O)O)O; CCCCCCCCCC(=O)O[C@@H] (COC(=O)CCCC)CO[P](O)(=O)O[C@@H]1[C@H](O )[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O |
(2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate |
| 7872 | 6ET CHEMBL391997 ZINC000003871859 |
4 | C19 H21 Cl N2 O2 S | InChI=1S/C19H21ClN2O2S/c2 0-16-5-3-13(4-6-16)7-8-21 -19(25)22-9-1-2-14-10-17( 23)18(24)11-15(14)12-22/h 3-6,10-11,23-24H,1-2,7-9, 12H2,(H,21,25); DRCMAZOSEIMCHM-UHFFFAOYSA-N |
c1cc(ccc1CCNC(=S)N2CCCc3cc(c(cc3C2)O)O)C l; Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc3ccc(Cl)c c3; c12cc(c(O)cc1CCCN(C2)C(=S)NCCc3ccc(c c3)Cl)O |
capsazepine; N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide |
| 7873 | 6EU CHEMBL17976 DB06515 ZINC000004262463 |
151 | C37 H40 O9 | InChI=1S/C37H40O9/c1-21(2 )35-17-23(4)37-27(33(35)4 4-36(45-35,46-37)19-24-9- 7-6-8-10-24)14-26(18-34(4 1)30(37)13-22(3)32(34)40) 20-43-31(39)16-25-11-12-2 8(38)29(15-25)42-5/h6-15, 23,27,30,33,38,41H,1,16-2 0H2,2-5H3/t23-,27+,30-,33 -,34-,35-,36-,37-/m1/s1; DSDNAKHZNJAGHN-MXTYGGKSSA-N |
CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(= O)Cc6ccc(c(c6)OC)O)O)C)OC(O3)(O2)Cc7cccc c7)C(=C)C; COc1cc(CC(=O)OCC2=C[CH]3[CH]4 O[C]5(Cc6ccccc6)O[C]4(C[CH](C)[C]3(O5)[C H]7C=C(C)C(=O)[C]7(O)C2)C(C)=C)ccc1O; CO c1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6c cccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]7C =C(C)C(=O)[C@@]7(O)C2)C(C)=C)ccc1O; COc1 cc(ccc1O)CC(=O)OCC=3CC2(C(C=C(C2=O)C)C54 C(C=3)C6C(CC4C)(OC(O5)(O6)Cc7ccccc7)\C(= C)C)O; C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1( [C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6c cc(c(c6)OC)O)O)C)O[C@](O3)(O2)Cc7ccccc7) C(=C)C |
resiniferatoxin; RTX |
| 7874 | 6EV ZINC000584904676 |
1 | C10 H8 O S2 | InChI=1S/C10H8OS2/c1-6-3- 4-7-5-13-10(12-2)8(7)9(6) 11/h3-5H,1H2,2H3; BRJSKZMFXIHQOD-UHFFFAOYSA-N |
CSc1scc2C=CC(=C)C(=O)c12; CSc1c2c(cs1)C= CC(=C)C2=O; C=C2/C=Cc1csc(SC)c1C2=O |
5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one |
| 7875 | 6EW ZINC000584904753 |
2 | C23 H27 F3 N2 O4 S | InChI=1S/C23H27F3N2O4S/c1 -6-27-19-10-8-17(12-20(19 )32-14-22(4,5)21(27)29)28 (13-23(24,25)26)33(30,31) 18-9-7-15(2)16(3)11-18/h7 -12H,6,13-14H2,1-5H3; NWOKNZFZDJIXMB-UHFFFAOYSA-N |
CCN1C(=O)C(C)(C)COc2cc(ccc12)N(CC(F)(F)F )[S](=O)(=O)c3ccc(C)c(C)c3; O=S(c1ccc(c( c1)C)C)(N(c2ccc3c(c2)OCC(C)(C)C(N3CC)=O) CC(F)(F)F)=O; CCN1c2ccc(cc2OCC(C1=O)(C)C )N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C |
N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide |
| 7876 | 6EX CHEMBL1592087 ZINC000000388370 |
2 | C5 H6 N2 O | InChI=1S/C5H6N2O/c1-5(8)7 -3-2-6-4-7/h2-4H,1H3; VIHYIVKEECZGOU-UHFFFAOYSA-N |
CC(=O)n1ccnc1; CC(n1cncc1)=O | 1-(1H-imidazol-1-yl)ethan-1-one |
| 7877 | 6EY ZINC000584904760 |
4 | C21 H16 Cl N O3 S2 | InChI=1S/C21H16ClNO3S2/c2 2-16-6-1-2-7-18(16)28-19- 17(25)11-21(23-20(19)26,1 4-8-9-27-12-14)13-4-3-5-1 5(24)10-13/h1-10,12,24-25 H,11H2,(H,23,26)/t21-/m1/ s1; OMRJWBOJLQCFAO-OAQYLSRUSA-N |
OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3) c4cccc(O)c4; c1ccc(c(c1)SC2=C(CC(NC2=O)( c3cccc(c3)O)c4ccsc4)O)Cl; OC1=C(Sc2ccccc 2Cl)C(=O)N[C@@](C1)(c3cscc3)c4cccc(O)c4; c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c 3)O)c4ccsc4)O)Cl; C=1(C(=O)NC(CC=1O)(c2c ccc(O)c2)c3ccsc3)Sc4ccccc4Cl |
(6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one |
| 7878 | 6EZ CHEMBL3827611 ZINC000584904847 |
3 | C20 H21 F N2 O2 | InChI=1S/C20H21FN2O2/c21- 15-4-1-12(2-5-15)13-3-8-1 8(22)19(11-13)23-20(24)14 -9-16-6-7-17(10-14)25-16/ h1-5,8,11,14,16-17H,6-7,9 -10,22H2,(H,23,24)/t14-,1 6-,17+; SBKJRDAJADZOCH-XGBSXSJOSA-N |
Nc1ccc(cc1NC(=O)[C@H]2C[C@@H]3CC[C@H](C2 )O3)c4ccc(F)cc4; c1(F)ccc(cc1)c2cc(c(cc2 )N)NC(C3CC4CCC(C3)O4)=O; c1cc(ccc1c2ccc( c(c2)NC(=O)C3CC4CCC(C3)O4)N)F; c1cc(ccc1 c2ccc(c(c2)NC(=O)C3C[C@H]4CC[C@@H](C3)O4 )N)F; Nc1ccc(cc1NC(=O)[CH]2C[CH]3CC[CH]( C2)O3)c4ccc(F)cc4 |
(3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide |
| 7879 | 6F0 CHEMBL4453722 ZINC000000153055 |
4 | C7 H6 F N O2 | InChI=1S/C7H6FNO2/c8-4-2- 1-3-5(9)6(4)7(10)11/h1-3H ,9H2,(H,10,11); RWSFZKWMVWPDGZ-UHFFFAOYSA-N |
O=C(O)c1c(F)cccc1N; c1cc(c(c(c1)F)C(=O)O )N; Nc1cccc(F)c1C(O)=O |
2-azanyl-6-fluoranyl-benzoic acid; 6-fluoroanthranilate |
| 7880 | 6F1 CHEMBL4850261 ZINC000584904737 |
4 | C20 H21 F3 N2 O4 S | InChI=1S/C20H21F3N2O4S/c1 -4-24-17-8-6-15(10-18(17) 29-11-19(24)26)25(12-20(2 1,22)23)30(27,28)16-7-5-1 3(2)14(3)9-16/h5-10H,4,11 -12H2,1-3H3; LODXRGHOWOQXTP-UHFFFAOYSA-N |
CCN1C(=O)COc2cc(ccc12)N(CC(F)(F)F)[S](=O )(=O)c3ccc(C)c(C)c3; c1c(C)c(C)cc(c1)S(= O)(N(c3cc2OCC(N(CC)c2cc3)=O)CC(F)(F)F)=O ; CCN1c2ccc(cc2OCC1=O)N(CC(F)(F)F)S(=O)( =O)c3ccc(c(c3)C)C |
N-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide |
| 7881 | 6F2 ZINC000263620735 |
1 | C27 H28 Cl N9 O | InChI=1S/C27H28ClN9O/c1-1 7-21(16-35(3)33-17)25-31- 24-23(22(28)13-29-26(24)3 2-25)20-12-30-37(15-20)14 -18-5-4-6-19(11-18)27(38) 36-9-7-34(2)8-10-36/h4-6, 11-13,15-16H,7-10,14H2,1- 3H3,(H,29,31,32); MBQJFWXFLPQAID-UHFFFAOYSA-N |
Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4c nn(c4)Cc5cccc(c5)C(=O)N6CCN(CC6)C; CN1CC N(CC1)C(=O)c2cccc(Cn3cc(cn3)c4c(Cl)cnc5[ nH]c(nc45)c6cn(C)nc6C)c2 |
[3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone |
| 7882 | 6F3 ZINC000584904827 |
4 | C14 H12 N2 O4 S | InChI=1S/C14H12N2O4S/c1-1 5-21(18,19)10-4-2-3-9(7-1 0)13-8-11-12(20-13)5-6-16 -14(11)17/h2-8,15H,1H3,(H ,16,17); QWCULBJLWKNECO-UHFFFAOYSA-N |
CN[S](=O)(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c 2; CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3 =O |
N-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide |
| 7883 | 6F4 ZINC000033413714 |
4 | C7 H8 N4 S2 | InChI=1S/C7H8N4S2/c8-6-10 -11-7(13-6)9-4-5-2-1-3-12 -5/h1-3H,4H2,(H2,8,10)(H, 9,11); KYOKGDLJKFUPBK-UHFFFAOYSA-N |
Nc1sc(NCc2sccc2)nn1; c1ccsc1CNc2nnc(s2)N ; c1cc(sc1)CNc2nnc(s2)N |
N~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine |
| 7884 | 6F5 ZINC000002584579 |
0 | C8 H16 O2 | InChI=1S/C8H16O2/c1-7(2)5 -3-4-6-8(9)10/h7H,3-6H2,1 -2H3,(H,9,10); OEOIWYCWCDBOPA-UHFFFAOYSA-N |
CC(C)CCCCC(O)=O; CC(C)CCCCC(=O)O | 6-methylheptanoic acid |
| 7885 | 6F7 ZINC000013540762 |
0 | C10 H15 N2 O8 P | InChI=1S/C10H15N2O8P/c1-5 -3-12(10(15)11-8(5)14)9-7 (13)2-6(20-9)4-19-21(16,1 7)18/h3,6-7,9,13H,2,4H2,1 H3,(H,11,14,15)(H2,16,17, 18)/t6-,7+,9+/m0/s1; NZONAJJJGMXZKE-LKEWCRSYSA-N |
CC1=CN([CH]2O[CH](CO[P](O)(O)=O)C[CH]2O) C(=O)NC1=O; CC1=CN([C@@H]2O[C@H](CO[P](O )(O)=O)C[C@H]2O)C(=O)NC1=O; CC1=CN(C(=O) NC1=O)C2C(CC(O2)COP(=O)(O)O)O; CC1=CN(C( =O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COP(=O)( O)O)O; N2(C1C(CC(O1)COP(O)(O)=O)O)C(=O)N C(C(=C2)C)=O |
3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate) |
| 7886 | 6F8 ZINC000017158175 |
1 | C21 H32 O2 | InChI=1S/C21H32O2/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-16-19-17-15-18-20(22)21 (19)23/h4-5,7-8,15,17-18, 22-23H,2-3,6,9-14,16H2,1H 3/b5-4-,8-7-; RMTXUPIIESNLPW-UTOQUPLUSA-N |
CCC[C@H]=[C@H]C[C@H]=[C@H]CCCCCCCc1cccc( c1O)O; CCCC=CCC=CCCCCCCCc1cccc(c1O)O; CC CC=CCC=CCCCCCCCc1cccc(O)c1O; CCC/C=C\C/C =C\CCCCCCCc1cccc(c1O)O; CCC\C=C/C\C=C/CC CCCCCc1cccc(O)c1O |
3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol |
| 7887 | 6F9 CHEMBL3927642 |
1 | C27 H35 N3 O5 | InChI=1S/C27H35N3O5/c1-5- 25(31)30-9-10-35-26-20(16 -30)11-18(19-12-22(33-3)1 5-23(13-19)34-4)14-24(26) 27(32)28-21-7-6-8-29(2)17 -21/h11-15,21H,5-10,16-17 H2,1-4H3,(H,28,32)/t21-/m 0/s1; CUJLWYCUPPPASA-NRFANRHFSA-N |
CCC(=O)N1CCOc2c(cc(cc2C(=O)N[C@H]3CCCN(C 3)C)c4cc(cc(c4)OC)OC)C1; CCC(=O)N1CCOc2c (C1)cc(cc2C(=O)N[C@H]3CCCN(C)C3)c4cc(OC) cc(OC)c4; CCC(=O)N1CCOc2c(cc(cc2C(=O)NC3 CCCN(C3)C)c4cc(cc(c4)OC)OC)C1; CCC(=O)N1 CCOc2c(C1)cc(cc2C(=O)N[CH]3CCCN(C)C3)c4c c(OC)cc(OC)c4; O(c4cc(cc(c1cc3c(c(c1)C(N C2CN(C)CCC2)=O)OCCN(C3)C(=O)CC)c4)OC)C |
7-(3,5-dimethoxyphenyl)-N-[(3S)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide |
| 7888 | 6FA DB02654 ZINC000085587514 |
8 | C27 H33 N9 O16 P2 | InChI=1S/C27H33N9O16P2/c1 -9-3-11-15(18(39)10(9)2)3 2-17-24(33-27(44)34-25(17 )43)35(11)4-12(37)19(40)1 3(38)5-49-53(45,46)52-54( 47,48)50-6-14-20(41)21(42 )26(51-14)36-8-31-16-22(2 8)29-7-30-23(16)36/h3,7-8 ,12-14,19-21,26,37-42H,4- 6H2,1-2H3,(H,45,46)(H,47, 48)(H2,28,29,30)(H,34,43, 44)/t12-,13+,14+,19-,20+, 21+,26+/m0/s1; BJSUUWFQAMLNKU-OKXKTURISA-N |
Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(= O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O) n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)C6=Nc2c( O)c1C; Cc1cc2c(c(c1C)O)N=C3C(=O)NC(=O)N= C3N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O) O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H] (O4)n5cnc6c5ncnc6N)O)O)O)O)O; O=C2C3=Nc1 c(cc(c(c1O)C)C)N(C3=NC(=O)N2)CC(O)C(O)C( O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc 45)N)C(O)C6O; Cc1cc2c(c(c1C)O)N=C3C(=O)N C(=O)N=C3N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC 4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O; Cc1c c2N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(= O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@ @H]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)C6 =Nc2c(O)c1C |
6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE |
| 7889 | 6FB CHEMBL3823505 ZINC000584904716 |
4 | C11 H8 N4 | InChI=1S/C11H8N4/c12-11-1 4-6-9-3-8-5-13-2-1-7(8)4- 10(9)15-11/h1-6H,(H2,12,1 4,15); HTMYPIWEXZOFDM-UHFFFAOYSA-N |
c2c1cnc(N)nc1cc3c2cncc3; Nc1ncc2cc3cnccc 3cc2n1; c1cncc2c1cc3c(c2)cnc(n3)N |
pyrido[3,4-g]quinazolin-2-amine |
| 7890 | 6FC ZINC000263621009 |
0 | C10 H15 F3 N3 O7 P S | InChI=1S/C10H15F3N3O7PS/c 11-10(12,13)25-7-6(17)4(3 -22-24(19,20)21)23-8(7)16 -2-1-5(14)15-9(16)18/h1-2 ,4,6-8,17,19-21,24H,3H2,( H2,14,15,18)/t4-,6-,7-,8- /m1/s1; RXIZMKBDEBXDBO-XVFCMESISA-N |
NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[PH](O) (O)O)[C@@H](O)[C@H]2SC(F)(F)F; FC(F)(F)S C2C(O)C(OC2N1C(=O)N=C(N)C=C1)COP(O)(O)O; C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(O)(O)O) O)SC(F)(F)F; C1=CN(C(=O)N=C1N)[C@H]2[C@@ H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F) F; NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[PH](O) (O)O)[CH](O)[CH]2SC(F)(F)F |
2'-trifluoromethylthio-2'-deoxycytidine |
| 7891 | 6FD CHEMBL3823483 ZINC000584904811 |
3 | C11 H9 N5 | InChI=1S/C11H9N5/c12-9-8- 1-2-14-4-6(8)3-7-5-15-11( 13)16-10(7)9/h1-5H,12H2,( H2,13,15,16); PQAQQDCVZZTPPJ-UHFFFAOYSA-N |
c1cncc2c1c(c3c(c2)cnc(n3)N)N; Nc1ncc2cc3 cnccc3c(N)c2n1; c2c1cnc(N)nc1c(c3c2cncc3 )N |
pyrido[3,4-g]quinazoline-2,10-diamine |
| 7892 | 6FE | 12 | C24 H28 N2 O | InChI=1S/C24H28N2O/c1-25( 2)21-12-6-18(7-13-21)24(2 0-10-16-23(27-5)17-11-20) 19-8-14-22(15-9-19)26(3)4 /h6-17,21H,1-5H3/b24-18-/ t21-/m0/s1; FEUHGUIYUWEJCH-JHGYQWQCSA-N |
CN(C)c1ccc(cc1)C(=C2C=CC(C=C2)N(C)C)c3cc c(cc3)OC; COc1ccc(cc1)[C](=[C]2C=C[CH](C =C2)N(C)C)c3ccc(cc3)N(C)C; COc1ccc(cc1)[ C](=[C@]2C=C[CH](C=C2)N(C)C)c3ccc(cc3)N( C)C |
4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline; MALACHITE GREEN DERIVATIVE MG-2P |
| 7893 | 6FF CHEMBL3943106 |
2 | C18 H19 F N4 O5 S | InChI=1S/C18H19FN4O5S/c1- 3-8-22(2)29(27,28)16-9-11 (14(24)10-15(16)25)17-20- 21-18(26)23(17)13-7-5-4-6 -12(13)19/h4-7,9-10,24-25 H,3,8H2,1-2H3,(H,21,26); NSUUJCLUFLXEHL-UHFFFAOYSA-N |
c3(O)cc(c(C1=NNC(N1c2ccccc2F)=O)cc3S(=O) (=O)N(C)CCC)O; CCCN(C)[S](=O)(=O)c1cc(c( O)cc1O)C2=NNC(=O)N2c3ccccc3F; CCCN(C)S(= O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3 F |
5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide |
| 7894 | 6FG | 1 | C11 H15 N O2 | InChI=1S/C11H15NO2/c13-11 (12-6-1-2-7-12)4-3-10-5-8 -14-9-10/h5,8-9H,1-4,6-7H 2; SGKPSOSDSZDXFD-UHFFFAOYSA-N |
O=C(CCc1cocc1)N2CCCC2; c1cocc1CCC(=O)N2C CCC2; O=C(N1CCCC1)CCc2ccoc2 |
3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one |
| 7895 | 6FH ZINC000002040419 |
0 | C9 H18 O2 | InChI=1S/C9H18O2/c1-3-8(2 )6-4-5-7-9(10)11/h8H,3-7H 2,1-2H3,(H,10,11)/t8-/m0/ s1; GPOPHQSTNHUENT-QMMMGPOBSA-N |
CC[C@H](C)CCCCC(=O)O; CC[CH](C)CCCCC(O)= O; CC[C@H](C)CCCCC(O)=O; CCC(C)CCCCC(=O) O |
(6~{S})-6-methyloctanoic acid |
| 7896 | 6FI | 1 | C17 H24 N4 O3 S | InChI=1S/C17H24N4O3S/c1-1 8-16-12-15(19-17(20-16)25 (4,22)23)13-6-8-14(9-7-13 )24-11-5-10-21(2)3/h6-9,1 2H,5,10-11H2,1-4H3,(H,18, 19,20); YBXAQIKRNSWPHA-UHFFFAOYSA-N |
CNc1cc(nc(n1)S(=O)(=O)C)c2ccc(cc2)OCCCN( C)C; CNc1cc(nc(n1)[S](C)(=O)=O)c2ccc(OCC CN(C)C)cc2 |
6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine |
| 7897 | 6FJ CHEMBL3943099 |
2 | C21 H17 F N4 O5 | InChI=1S/C21H17FN4O5/c1-2 5(11-12-5-4-8-31-12)20(29 )14-9-13(17(27)10-18(14)2 8)19-23-24-21(30)26(19)16 -7-3-2-6-15(16)22/h2-10,2 7-28H,11H2,1H3,(H,24,30); PAVRUOXGJYRCJO-UHFFFAOYSA-N |
c1cccc(c1N4C(c3c(cc(O)c(C(=O)N(Cc2ccco2) C)c3)O)=NNC4=O)F; CN(Cc1ccco1)C(=O)c2cc( c(cc2O)O)C3=NNC(=O)N3c4ccccc4F; CN(Cc1oc cc1)C(=O)c2cc(c(O)cc2O)C3=NNC(=O)N3c4ccc cc4F |
5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide |
| 7898 | 6FK ZINC000584904701 |
0 | C18 H21 N6 O8 P | InChI=1S/C18H21N6O8P/c1-9 (25)23(10-5-3-2-4-6-10)18 -20-14-15(21-17(19)22-16( 14)27)24(18)13-7-11(26)12 (32-13)8-31-33(28,29)30/h 2-6,11-13,26H,7-8H2,1H3,( H2,28,29,30)(H3,19,21,22, 27)/t11-,12+,13+/m0/s1; FWJWVOKTDMVYNP-YNEHKIRRSA-N |
CC(=O)N(c1ccccc1)c2nc3c(n2C4CC(C(O4)COP( =O)(O)O)O)NC(=NC3=O)N; CC(=O)N(c1ccccc1) c2nc3c(n2[C@H]4C[C@@H]([C@H](O4)COP(=O)( O)O)O)NC(=NC3=O)N; CC(=O)N(c1ccccc1)c2nc 3C(=O)N=C(N)Nc3n2[CH]4C[CH](O)[CH](CO[P] (O)(O)=O)O4; CC(=O)N(c1ccccc1)c2nc3C(=O) N=C(N)Nc3n2[C@H]4C[C@H](O)[C@@H](CO[P](O )(O)=O)O4 |
[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| 7899 | 6FL ZINC000002560328 |
0 | C6 H7 F6 N O2 | InChI=1S/C6H7F6NO2/c7-5(8 ,9)3(6(10,11)12)1-2(13)4( 14)15/h2-3H,1,13H2,(H,14, 15)/t2-/m0/s1; MNZLMQYCEWHPPS-REOHCLBHSA-N |
FC(F)(F)C(CC(N)C(=O)O)C(F)(F)F; C([C@@H] (C(=O)O)N)C(C(F)(F)F)C(F)(F)F; N[CH](CC( C(F)(F)F)C(F)(F)F)C(O)=O; N[C@@H](CC(C(F )(F)F)C(F)(F)F)C(O)=O; C(C(C(=O)O)N)C(C( F)(F)F)C(F)(F)F |
5,5,5,5',5',5'-hexafluoro-L-leucine |
| 7900 | 6FM ZINC000584904743 |
4 | C12 H13 F N5 O6 P | InChI=1S/C12H13FN5O6P/c1- 2-12(4-23-25(20,21)22)6(1 9)3-7(24-12)18-5-15-8-9(1 4)16-11(13)17-10(8)18/h1, 5-7,19H,3-4H2,(H2,14,16,1 7)(H2,20,21,22)/t6-,7+,12 +/m0/s1; MAIQRKKYFLNZMS-QRPMWFLTSA-N |
C#CC1(C(CC(O1)n2cnc3c2nc(nc3N)F)O)COP(=O )(O)O; C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c 2nc(nc3N)F)O)COP(=O)(O)O; c21n(cnc1c(nc( n2)F)N)C3CC(C(C#C)(O3)COP(O)(=O)O)O; Nc1 nc(F)nc2n(cnc12)[C@H]3C[C@H](O)[C@@](CO[ P](O)(O)=O)(O3)C#C; Nc1nc(F)nc2n(cnc12)[ CH]3C[CH](O)[C](CO[P](O)(O)=O)(O3)C#C |
2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate) |
| 7901 | 6FN CHEMBL518606 ZINC000042877555 |
1 | C12 H15 F N5 O12 P3 | InChI=1S/C12H15FN5O12P3/c 1-2-12(4-27-32(23,24)30-3 3(25,26)29-31(20,21)22)6( 19)3-7(28-12)18-5-15-8-9( 14)16-11(13)17-10(8)18/h1 ,5-7,19H,3-4H2,(H,23,24)( H,25,26)(H2,14,16,17)(H2, 20,21,22)/t6-,7+,12+/m0/s 1; BUMPFXRZUYYODO-QRPMWFLTSA-N |
C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3 N)F)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O; c21 n(cnc1c(nc(n2)F)N)C3CC(C(COP(O)(OP(=O)(O )OP(O)(O)=O)=O)(C#C)O3)O; Nc1nc(F)nc2n(c nc12)[CH]3C[CH](O)[C](CO[P](O)(=O)O[P](O )(=O)O[P](O)(O)=O)(O3)C#C; Nc1nc(F)nc2n( cnc12)[C@H]3C[C@H](O)[C@@](CO[P](O)(=O)O [P](O)(=O)O[P](O)(O)=O)(O3)C#C; C#CC1(C( CC(O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)OP(= O)(O)OP(=O)(O)O |
2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate) |
| 7902 | 6FP CHEMBL3314206 ZINC000013525580 |
4 | C7 H5 N5 O2 | InChI=1S/C7H5N5O2/c8-7-11 -5-4(6(14)12-7)10-3(2-13) 1-9-5/h1-2H,(H3,8,9,11,12 ,14); LLJAQDVNMGLRBD-UHFFFAOYSA-N |
NC1=Nc2ncc(C=O)nc2C(=O)N1; O=Cc2nc1c(N=C (N)NC1=O)nc2; c1c(nc2c(n1)N=C(NC2=O)N)C= O |
2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde; 6-formylpterin |
| 7903 | 6FQ CHEMBL2420480 ZINC000096282687 |
3 | C19 H10 N8 O2 | InChI=1S/C19H10N8O2/c20-9 -10-4-5-11-8-14-17(21-19( 29)22-18(14)28)27(15(11)6 -10)13-3-1-2-12(7-13)16-2 3-25-26-24-16/h1-8H,(H,22 ,28,29)(H,23,24,25,26); NDVGJTJBERLSGL-UHFFFAOYSA-N |
c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O )C#N)c5[nH]nnn5; O=C1NC(=O)C2=Cc3ccc(cc3 N(c4cccc(c4)c5[nH]nnn5)C2=N1)C#N; N2C(N= C1N(c3cc(C#N)ccc3C=C1C2=O)c5cc(c4nnnn4)c cc5)=O |
2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile |
| 7904 | 6FR | 1 | C11 H21 N O2 S | InChI=1S/C11H21NO2S/c13-1 5(14,12-8-3-4-9-12)10-7-1 1-5-1-2-6-11/h11H,1-10H2; UAJGQMZYCCWBAX-UHFFFAOYSA-N |
C1CCC(C1)CCS(=O)(=O)N2CCCC2; O=S(CCC1CCC C1)(=O)N2CCCC2; O=[S](=O)(CCC1CCCC1)N2CC CC2 |
1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine |
| 7905 | 6FS CHEMBL1241855 DB12146 ZINC000003942646 |
6 | C21 H25 N O8 S | InChI=1S/C21H25NO8S/c1-27 -15-10-19(29-3)16(20(11-1 5)30-4)7-8-31(25,26)13-14 -5-6-18(28-2)17(9-14)22-1 2-21(23)24/h5-11,22H,12-1 3H2,1-4H3,(H,23,24)/b8-7+; OWBFCJROIKNMGD-BQYQJAHWSA-N |
COc1ccc(cc1NCC(=O)O)CS(=O)(=O)C=Cc2c(cc( cc2OC)OC)OC; COc1cc(OC)c(\C=C\[S](=O)(=O )Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1; COc1cc c(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2O C)OC)OC; COc1cc(OC)c(C=C[S](=O)(=O)Cc2cc c(OC)c(NCC(O)=O)c2)c(OC)c1; c1c(cc(c(c1O C)\C=C\S(Cc2ccc(c(c2)NCC(O)=O)OC)(=O)=O) OC)OC |
N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine |
| 7906 | 6FT CHEMBL3818057 ZINC000584904720 |
1 | C19 H16 N2 O6 S | InChI=1S/C19H16N2O6S/c20- 28(26,27)15-7-5-14(6-8-15 )13-3-1-12(2-4-13)9-21-10 -16(19(24)25)18(23)17(22) 11-21/h1-8,10-11,22H,9H2, (H,24,25)(H2,20,26,27); ITQGYJSLTCSCLX-UHFFFAOYSA-N |
c1cc(ccc1CN2C=C(C(=O)C(=C2)O)C(=O)O)c3cc c(cc3)S(=O)(=O)N; N[S](=O)(=O)c1ccc(cc1) c2ccc(CN3C=C(O)C(=O)C(=C3)C(O)=O)cc2; O= C1C(=CN(C=C1C(O)=O)Cc2ccc(cc2)c3ccc(cc3) S(N)(=O)=O)O |
5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid |
| 7907 | 6FU ZINC000263620522 |
0 | C10 H14 F3 N2 O8 P S | InChI=1S/C10H14F3N2O8PS/c 11-10(12,13)25-7-6(17)4(3 -22-24(19,20)21)23-8(7)15 -2-1-5(16)14-9(15)18/h1-2 ,4,6-8,17,19-21,24H,3H2,( H,14,16,18)/t4-,6-,7-,8-/ m1/s1; HQACHJYAMJCNIP-XVFCMESISA-N |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)COP(O)(O)O)O)SC(F)(F)F; O[CH]1[CH] (CO[PH](O)(O)O)O[CH]([CH]1SC(F)(F)F)N2C= CC(=O)NC2=O; C1=CN(C(=O)NC1=O)C2C(C(C(O2 )COP(O)(O)O)O)SC(F)(F)F; O[C@@H]1[C@@H]( CO[PH](O)(O)O)O[C@H]([C@@H]1SC(F)(F)F)N2 C=CC(=O)NC2=O; FC(F)(F)SC2C(O)C(OC2N1C(= O)NC(=O)C=C1)COP(O)(O)O |
2'-trifluoromethylthio-2'-deoxyuridine |
| 7908 | 6FV CHEMBL2420465 ZINC000096282702 |
2 | C18 H10 N4 O3 | InChI=1S/C18H10N4O3/c19-9 -10-1-2-11-8-14-16(20-18( 25)21-17(14)24)22(15(11)7 -10)12-3-5-13(23)6-4-12/h 1-8,23H,(H,21,24,25); JAOMIQIQBBRLQX-UHFFFAOYSA-N |
Oc1ccc(cc1)N2c3cc(ccc3C=C4C(=O)NC(=O)N=C 24)C#N; c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O )NC4=O)C#N)O; N3C(C2=Cc4c(N(c1ccc(cc1)O) C2=NC3=O)cc(cc4)C#N)=O |
10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile |
| 7909 | 6FW CHEMBL230446 ZINC000028711406 |
4 | C16 H15 Cl N5 O7 P S | InChI=1S/C16H15ClN5O7PS/c 17-6-1-3-7(4-2-6)31-16-19 -9-12(20-15(18)21-13(9)24 )22(16)14-10(23)11-8(28-1 4)5-27-30(25,26)29-11/h1- 4,8,10-11,14,23H,5H2,(H,2 5,26)(H3,18,20,21,24)/t8- ,10-,11-,14-/m1/s1; ZDJHIEHUVPCEDK-IDTAVKCVSA-N |
c1cc(ccc1Sc2nc3c(n2[C@H]4[C@@H]([C@H]5[C @H](O4)COP(=O)(O5)O)O)NC(=NC3=O)N)Cl; NC 1=NC(=O)c2nc(Sc3ccc(Cl)cc3)n([CH]4O[CH]5 CO[P](O)(=O)O[CH]5[CH]4O)c2N1; C1(N=C(N) Nc2n(c(nc12)Sc3ccc(Cl)cc3)C5C(C4C(COP(=O )(O)O4)O5)O)=O; c1cc(ccc1Sc2nc3c(n2C4C(C 5C(O4)COP(=O)(O5)O)O)NC(=NC3=O)N)Cl; NC1 =NC(=O)c2nc(Sc3ccc(Cl)cc3)n([C@@H]4O[C@@ H]5CO[P](O)(=O)O[C@H]5[C@H]4O)c2N1 |
2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one |
| 7910 | 6FX ZINC000584904684 |
2 | C14 H10 N2 O4 | InChI=1S/C14H10N2O4/c1-19 -14(18)9-4-8(6-15-7-9)12- 5-10-11(20-12)2-3-16-13(1 0)17/h2-7H,1H3,(H,16,17); CKTWBGKZILYBCF-UHFFFAOYSA-N |
COC(=O)c1cncc(c1)c2oc3C=CNC(=O)c3c2; COC (=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O |
methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate; methyl 5-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)nicotinate |
| 7911 | 6FY ZINC000584904992 |
2 | C10 H19 N2 O7 P | InChI=1S/C10H19N2O7P/c1-2 -7(9(15)12-5-8(13)14)19-2 0(18)4-3-6(11)10(16)17/h6 -7,20H,2-5,11H2,1H3,(H,12 ,15)(H,13,14)(H,16,17)/t6 -,7+/m0/s1; ZHBIUULHWXYKFH-NKWVEPMBSA-N |
CCC(C(=O)NCC(=O)O)OP(=O)CCC(C(=O)O)N; CC [C@@H](O[P@H](=O)CC[C@H](N)C(O)=O)C(=O)N CC(O)=O; CC[C@H](C(=O)NCC(=O)O)O[P@H](=O )CC[C@@H](C(=O)O)N; CC[CH](O[PH](=O)CC[C H](N)C(O)=O)C(=O)NCC(O)=O |
(2~{S})-2-azanyl-4-[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid |
| 7912 | 6FZ CHEMBL81558 ZINC000000337835 |
2 | C10 H10 O2 | InChI=1S/C10H10O2/c11-10( 12)9-5-7-3-1-2-4-8(7)6-9/ h1-4,9H,5-6H2,(H,11,12); XUDCMQBOWOLYCF-UHFFFAOYSA-N |
c2cc1CC(Cc1cc2)C(=O)O; OC(=O)C1Cc2ccccc2 C1; c1ccc2c(c1)CC(C2)C(=O)O |
2,3-dihydro-1H-indene-2-carboxylic acid |
| 7913 | 6G0 | 4 | C11 H20 N5 O17 P4 | InChI=1S/C11H19N5O17P4/c1 -15-3-16(8-5(15)9(19)14-1 1(12)13-8)10-7(18)6(17)4( 30-10)2-29-35(23,24)32-37 (27,28)33-36(25,26)31-34( 20,21)22/h3-4,6-7,10,17-1 8H,2H2,1H3,(H7-,12,13,14, 19,20,21,22,23,24,25,26,2 7,28)/p+1/t4-,6-,7-,10-/m 1/s1; ICYVMAXYRWTAKS-KQYNXXCUSA-O |
C2(=Nc1n(c[n+](c1C(N2)=O)C)C3OC(COP(OP(O P(OP(=O)(O)O)(=O)O)(=O)O)(O)=O)C(C3O)O)N ; C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3) COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O )O; C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@ @H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O P(=O)(O)OP(=O)(O)O)O)O; C[n+]1cn([CH]2O[ CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[ P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c 13; C[n+]1cn([C@@H]2O[C@H](CO[P](O)(=O)O [P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H] (O)[C@H]2O)c3N=C(N)NC(=O)c13 |
5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine |
| 7914 | 6G1 CHEMBL4457622 |
1 | C20 H25 N3 O3 S | InChI=1S/C20H25N3O3S/c24- 20(16-5-2-1-3-6-16)22-11- 13-23(14-12-22)27(25,26)1 9-8-4-7-17-15-21-10-9-18( 17)19/h4,7-10,15-16H,1-3, 5-6,11-14H2; RQGSIJUNMAAIRB-UHFFFAOYSA-N |
O=C(C1CCCCC1)N2CCN(CC2)[S](=O)(=O)c3cccc 4cnccc34; C1CN(CCN1C(=O)C2CCCCC2)S(=O)(= O)c4c3ccncc3ccc4; c1cc2cnccc2c(c1)S(=O)( =O)N3CCN(CC3)C(=O)C4CCCCC4 |
cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone |
| 7915 | 6G2 CHEMBL4749141 ZINC000584904715 |
1 | C19 H21 N5 O S | InChI=1S/C19H21N5OS/c20-1 8-16(25-12-13-1-5-21-6-2- 13)9-15(10-23-18)17-11-24 -19(26-17)14-3-7-22-8-4-1 4/h1-2,5-6,9-11,14,22H,3- 4,7-8,12H2,(H2,20,23); HSEGDFMLRPWOHH-UHFFFAOYSA-N |
Nc1ncc(cc1OCc2ccncc2)c3sc(nc3)C4CCNCC4; c1cnccc1COc2cc(cnc2N)c3cnc(s3)C4CCNCC4; c1(ncc(cc1OCc2ccncc2)c3sc(nc3)C4CCNCC4)N |
5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine |
| 7916 | 6G3 CHEMBL4471573 |
2 | C27 H23 F3 N6 O | InChI=1S/C27H23F3N6O/c1-1 5(2)25-35-22(23-24(31)32- 12-13-36(23)25)20-10-11-2 1(19-9-4-3-8-18(19)20)34- 26(37)33-17-7-5-6-16(14-1 7)27(28,29)30/h3-15H,1-2H 3,(H2,31,32)(H2,33,34,37); MEJKZYOOTMLMBA-UHFFFAOYSA-N |
CC(C)c1nc(c2ccc(NC(=O)Nc3cccc(c3)C(F)(F) F)c4ccccc24)c5n1ccnc5N; c2nc(c1c(nc(C(C) C)n1c2)c3ccc(c4ccccc34)NC(Nc5cc(ccc5)C(F )(F)F)=O)N; CC(C)c1nc(c2n1ccnc2N)c3ccc(c 4c3cccc4)NC(=O)Nc5cccc(c5)C(F)(F)F |
N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea |
| 7917 | 6G4 | 0 | C15 H28 N2 O4 | InChI=1S/C15H28N2O4/c1-2- 3-4-7-12(18)9-10-14(19)17 -11-6-5-8-13(16)15(20)21/ h13H,2-11,16H2,1H3,(H,17, 19)(H,20,21)/t13-/m0/s1; DRLGGTGYYIGHGQ-ZDUSSCGKSA-N |
CCCCCC(=O)CCC(=O)NCCCCC(C(=O)O)N; CCCCCC (=O)CCC(=O)NCCCC[C@H](N)C(O)=O; CCCCCC(= O)CCC(=O)NCCCC[CH](N)C(O)=O; CCCCCC(=O)C CC(=O)NCCCC[C@@H](C(=O)O)N |
4-oxononanoyl lysine; Nepsilon |
| 7918 | 6G5 ZINC000013386789 |
2 | C11 H11 Cl N2 O2 | InChI=1S/C11H11ClN2O2/c12 -7-2-1-3-9-10(7)6(5-14-9) 4-8(13)11(15)16/h1-3,5,8, 14H,4,13H2,(H,15,16)/t8-/ m0/s1; NRTHKYABOMUPSC-QMMMGPOBSA-N |
c1cc2c(c(c1)Cl)c(c[nH]2)C[C@@H](C(=O)O)N ; N[C@@H](Cc1c[nH]c2cccc(Cl)c12)C(O)=O; N[CH](Cc1c[nH]c2cccc(Cl)c12)C(O)=O; c1cc 2c(c(c1)Cl)c(c[nH]2)CC(C(=O)O)N; O=C(O)C (N)Cc1c[NH]c2cccc(Cl)c21 |
4-chloro-L-tryptophan |
| 7919 | 6G6 | 2 | C13 H21 Cl2 N5 O16 P4 | InChI=1S/C13H21Cl2N5O16P4 /c1-19-4-20(9-6(19)10(22) 18-12(16)17-9)11-8(32-2)7 (21)5(34-11)3-33-40(30,31 )36-38(25,26)13(14,15)37( 23,24)35-39(27,28)29/h4-5 ,7-8,11,21H,3H2,1-2H3,(H7 -,16,17,18,22,23,24,25,26 ,27,28,29,30,31)/t5-,7-,8 -,11-/m1/s1; ULCNCADMRQHHSX-IOSLPCCCSA-N |
C[n+]1cn(c2c1c(nc(n2)N)[O-])[C@H]3[C@@H] ([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O )(O)OP(=O)(O)O)(Cl)Cl)O)O)OC; C[n+]1cn(c 2c1c(nc(n2)N)[O-])C3C(C(C(O3)COP(=O)(O)O P(=O)(C(P(=O)(O)OP(=O)(O)O)(Cl)Cl)O)O)OC ; OP(=O)(O)OP(C(Cl)(Cl)P(O)(=O)OP(O)(=O) OCC1OC(C(C1O)OC)n2c[n+](C)c3c2nc(N)nc3[O -])(O)=O; CO[CH]1[CH](O)[CH](CO[P](O)(=O )O[P](O)(=O)C(Cl)(Cl)[P](O)(=O)O[P](O)(O )=O)O[CH]1n2c[n+](C)c3c([O-])nc(N)nc23; CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(=O)O[P] (O)(=O)C(Cl)(Cl)[P](O)(=O)O[P](O)(O)=O)O [C@H]1n2c[n+](C)c3c([O-])nc(N)nc23 |
2-amino-9-{5-O-[(R)-{[(S)-{dichloro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-methyl-beta-D-ribofuranosyl}-7-methyl-9H-purin-7-ium-6-olate |
| 7920 | 6G7 CHEMBL3895370 |
1 | C14 H10 F N3 O3 | InChI=1S/C14H10FN3O3/c15- 10-3-1-2-4-11(10)18-13(16 -17-14(18)21)9-6-5-8(19)7 -12(9)20/h1-7,19-20H,(H,1 7,21); CMOWBCZHKWQARR-UHFFFAOYSA-N |
c3(cc(O)c(C=1N(C(=O)NN=1)c2c(F)cccc2)cc3 )O; c1ccc(c(c1)N2C(=NNC2=O)c3ccc(cc3O)O) F; Oc1ccc(c(O)c1)C2=NNC(=O)N2c3ccccc3F |
5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| 7921 | 6G8 | 1 | C35 H42 F N5 O4 | InChI=1S/C35H42FN5O4/c1-2 3-16-25(5-2-24-3-6-26(7-4 -24)21-40-12-14-45-15-13- 40)8-11-31(23)33(42)38-20 -30-18-29(22-41(30)35(44) 27-9-10-27)39-34(43)32-17 -28(36)19-37-32/h3-4,6-8, 11,16,27-30,32,37H,9-10,1 2-15,17-22H2,1H3,(H,38,42 )(H,39,43)/t28-,29+,30+,3 2-/m0/s1; VANITAVOZBNWHX-TWXNZYBRSA-N |
Cc1cc(ccc1C(=O)NC[C@H]2C[C@H](CN2C(=O)C3 CC3)NC(=O)[C@@H]4C[C@@H](CN4)F)C#Cc5ccc( cc5)CN6CCOCC6; Cc1cc(ccc1C(=O)NCC2CC(CN2 C(=O)C3CC3)NC(=O)C4CC(CN4)F)C#Cc5ccc(cc5 )CN6CCOCC6; Cc1cc(ccc1C(=O)NC[C@H]2C[C@H ](CN2C(=O)C3CC3)NC(=O)[C@@H]4C[C@H](F)CN 4)C#Cc5ccc(CN6CCOCC6)cc5; Cc1cc(ccc1C(=O )NC[CH]2C[CH](CN2C(=O)C3CC3)NC(=O)[CH]4C [CH](F)CN4)C#Cc5ccc(CN6CCOCC6)cc5 |
(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide |
| 7922 | 6G9 CHEMBL3908487 ZINC000584904990 |
1 | C14 H8 Br2 N4 O4 S | InChI=1S/C14H8Br2N4O4S/c1 5-6-4-8(18-10(6)16)11(21) 20-14-19-7-2-1-5(3-9(7)25 -14)17-12(22)13(23)24/h1- 4,18H,(H,17,22)(H,23,24)( H,19,20,21); ZDVZBRWEKLWNNU-UHFFFAOYSA-N |
c1cc2c(cc1NC(=O)C(=O)O)sc(n2)NC(=O)c3cc( c([nH]3)Br)Br; OC(=O)C(=O)Nc1ccc2nc(NC(= O)c3[nH]c(Br)c(Br)c3)sc2c1 |
2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid |
| 7923 | 6GA ZINC000095576973 |
2 | C17 H17 F N2 O3 | InChI=1S/C17H17FN2O3/c18- 14-8-6-12(7-9-14)10-15(17 (22)20-23)16(21)19-11-13- 4-2-1-3-5-13/h1-9,15,23H, 10-11H2,(H,19,21)(H,20,22 )/t15-/m0/s1; UBULRDFJXZRBJH-HNNXBMFYSA-N |
O=C(NCc1ccccc1)C(C(=O)NO)Cc2ccc(cc2)F; c 1ccc(cc1)CNC(=O)[C@H](Cc2ccc(cc2)F)C(=O) NO; ONC(=O)[CH](Cc1ccc(F)cc1)C(=O)NCc2cc ccc2; ONC(=O)[C@@H](Cc1ccc(F)cc1)C(=O)NC c2ccccc2; c1ccc(cc1)CNC(=O)C(Cc2ccc(cc2) F)C(=O)NO |
(2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide |
| 7924 | 6GB | 0 | C12 H23 O14 P | InChI=1S/C12H23O14P/c13-5 -3(25-11(19)9(17)7(5)15)1 -23-12-10(18)8(16)6(14)4( 26-12)2-24-27(20,21)22/h3 -19H,1-2H2,(H2,20,21,22)/ t3-,4-,5-,6-,7+,8+,9-,10- ,11-,12-/m1/s1; MPJUWDDYGSGMFC-LIZSDCNHSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O) O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O 2)COP(=O)(O)O)O)O)O; O[C@@H]1O[C@H](CO[C @@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H] (O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O; C(C 1C(C(C(C(O1)O)O)O)O)OC2C(C(C(C(O2)COP(=O )(O)O)O)O)O; O[CH]1O[CH](CO[CH]2O[CH](CO [P](O)(O)=O)[CH](O)[CH](O)[CH]2O)[CH](O) [CH](O)[CH]1O; O=P(O)(O)OCC2OC(OCC1OC(O) C(O)C(O)C1O)C(O)C(O)C2O |
6-O-(6-O-phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose; gentiobiose 6-phosphate |
| 7925 | 6GC CHEMBL3945793 |
2 | C20 H21 F N4 O4 | InChI=1S/C20H21FN4O4/c1-3 -4-9-24(2)19(28)13-10-12( 16(26)11-17(13)27)18-22-2 3-20(29)25(18)15-8-6-5-7- 14(15)21/h5-8,10-11,26-27 H,3-4,9H2,1-2H3,(H,23,29); LRPFOJAUXAMOQR-UHFFFAOYSA-N |
CCCCN(C)C(=O)c1cc(c(O)cc1O)C2=NNC(=O)N2c 3ccccc3F; c1c(c(F)ccc1)N2C(=NNC2=O)c3c(c c(c(c3)C(N(C)CCCC)=O)O)O; CCCCN(C)C(=O)c 1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F |
N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide |
| 7926 | 6GD CHEMBL3823499 ZINC000140121291 |
2 | C20 H19 F N4 O2 S | InChI=1S/C20H19FN4O2S/c1- 20(2,3)28(26,27)13-5-7-16 -14(11-13)17(8-9-22-16)23 -19-15-10-12(21)4-6-18(15 )24-25-19/h4-11H,1-3H3,(H 2,22,23,24,25); XLOGLWKOHPIJLV-UHFFFAOYSA-N |
c3cc(cc4c(Nc1c2c(nn1)ccc(F)c2)ccnc34)S(C (C)(C)C)(=O)=O; CC(C)(C)S(=O)(=O)c1ccc2c (c1)c(ccn2)Nc3c4cc(ccc4n[nH]3)F; CC(C)(C )[S](=O)(=O)c1ccc2nccc(Nc3[nH]nc4ccc(F)c c34)c2c1 |
6-(tert-butylsulfonyl)-N-(5-fluoro-2H-indazol-3-yl)quinolin-4-amine |
| 7927 | 6GE CHEMBL237347 ZINC000001491556 |
2 | C17 H16 N2 O3 S | InChI=1S/C17H16N2O3S/c1-1 1-3-4-12(20)9-17(11)19-16 -7-8-18-15-6-5-13(10-14(1 5)16)23(2,21)22/h3-10,20H ,1-2H3,(H,18,19); BVHZLDLRNBQWRF-UHFFFAOYSA-N |
Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O; N(c2c1cc(ccc1ncc2)S(C)(=O)=O)c3cc(ccc3C )O; Cc1ccc(O)cc1Nc2ccnc3ccc(cc23)[S](C)( =O)=O |
4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol |
| 7928 | 6GF ZINC000584904695 |
20 | C23 H22 N6 O | InChI=1S/C23H22N6O/c1-30- 20-10-8-17(9-11-20)21-14- 22(28-23(24)27-21)29(15-1 8-6-2-4-12-25-18)16-19-7- 3-5-13-26-19/h2-14H,15-16 H2,1H3,(H2,24,27,28); FIGQTBBMNODYCB-UHFFFAOYSA-N |
c4(N(Cc1ncccc1)Cc2ccccn2)cc(c3ccc(OC)cc3 )nc(n4)N; COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3 ccccn3)Cc4ccccn4; COc1ccc(cc1)c2cc(nc(N) n2)N(Cc3ccccn3)Cc4ccccn4 |
6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine |
| 7929 | 6GG CHEMBL4093959 |
14 | C35 H33 Cl2 F N4 O5 | InChI=1S/C35H33Cl2FN4O5/c 36-24-9-5-22(6-10-24)20-4 2-21-40-32(23-7-12-26(38) 13-8-23)34(42)31-27-14-11 -25(37)19-28(27)41-33(31) 35(46)47-18-4-2-1-3-17-39 -29(43)15-16-30(44)45/h5- 14,19,21,41H,1-4,15-18,20 H2,(H,39,43)(H,44,45); MEJMFPQUMDEAQP-UHFFFAOYSA-N |
c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O) OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl; OC(=O)CCC(=O)NCCCCCCOC(=O)c1[nH]c2cc(Cl )ccc2c1c3n(Cc4ccc(Cl)cc4)cnc3c5ccc(F)cc5 ; O=C(O)CCC(NCCCCCCOC(c2nc1cc(Cl)ccc1c2c 4n(Cc3ccc(Cl)cc3)cnc4c5ccc(F)cc5)=O)=O |
4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid |
| 7930 | 6GH CHEMBL4533770 ZINC000584904704 |
20 | C20 H18 N6 S | InChI=1S/C20H18N6S/c21-20 -24-18(15-7-10-27-14-15)1 1-19(25-20)26(12-16-5-1-3 -8-22-16)13-17-6-2-4-9-23 -17/h1-11,14H,12-13H2,(H2 ,21,24,25); GNKFSGIISAKKRV-UHFFFAOYSA-N |
c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4cc sc4; c4c(CN(c2cc(c1ccsc1)nc(n2)N)Cc3cccc n3)nccc4; Nc1nc(cc(n1)c2cscc2)N(Cc3ccccn 3)Cc4ccccn4 |
N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine |
| 7931 | 6GI ZINC000012506425 |
1 | C26 H23 N7 O3 | InChI=1S/C26H23N7O3/c27-2 5-30-24(33-20-13-22-21(34 -10-3-11-35-22)12-19(20)2 9-26(33)31-25)16-5-7-18(8 -6-16)36-15-17-14-32-9-2- 1-4-23(32)28-17/h1-2,4-9, 12-14,24H,3,10-11,15H2,(H 3,27,29,30,31)/t24-/m1/s1; YNNIPDFDZWDMRE-XMMPIXPASA-N |
c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6 cc7c(cc6n5)OCCCO7)N; NC1=Nc2nc3cc4OCCCOc 4cc3n2[CH](N1)c5ccc(OCc6cn7ccccc7n6)cc5; NC1=Nc2nc3cc4OCCCOc4cc3n2[C@@H](N1)c5cc c(OCc6cn7ccccc7n6)cc5 |
13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine |
| 7932 | 6GJ ZINC000103529042 |
4 | C11 H20 N2 O4 S | InChI=1S/C11H20N2O4S/c1-2 -3-4-12-11-13-6(5-18-11)7 (14)8(15)9(16)10(13)17/h6 -10,14-17H,2-5H2,1H3/b12- 11+/t6-,7+,8+,9-,10+/m1/s 1; FDVLRIHIZWQYRM-XDOBVOAZSA-N |
CCCCN=C1N2C(CS1)C(C(C(C2O)O)O)O; CCCC/N= C/1\N2[C@H](CS1)[C@@H]([C@@H]([C@H]([C@@ H]2O)O)O)O; N(=C1/SCC2N1C(O)C(O)C(O)C2O) \CCCC; CCCCN=C1SC[C@@H]2[C@H](O)[C@H](O) [C@@H](O)[C@H](O)N12; CCCCN=C1SC[CH]2[CH ](O)[CH](O)[CH](O)[CH](O)N12 |
(3E,5S,6R,7S,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol |
| 7933 | 6GK CHEMBL4527740 ZINC000584904673 |
20 | C23 H22 N6 O | InChI=1S/C23H22N6O/c1-30- 21-11-3-2-10-19(21)20-14- 22(28-23(24)27-20)29(15-1 7-8-4-6-12-25-17)16-18-9- 5-7-13-26-18/h2-14H,15-16 H2,1H3,(H2,24,27,28); BOPSVMQMLOGQBG-UHFFFAOYSA-N |
COc1ccccc1c2cc(nc(N)n2)N(Cc3ccccn3)Cc4cc ccn4; COc1ccccc1c2cc(nc(n2)N)N(Cc3ccccn3 )Cc4ccccn4; c2(cc(c1c(OC)cccc1)nc(n2)N)N (Cc3ncccc3)Cc4ncccc4 |
6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine |
| 7934 | 6GL | 0 | C5 H12 N O6 P | InChI=1S/C5H12NO6P/c6-4(5 (7)8)2-1-3-12-13(9,10)11/ h4H,1-3,6H2,(H,7,8)(H2,9, 10,11)/t4-/m0/s1; ANNFZPDDNFUKRM-BYPYZUCNSA-N |
N[CH](CCCO[P](O)(O)=O)C(O)=O; O=C(O)C(N) CCCOP(=O)(O)O; C(CC(C(=O)O)N)COP(=O)(O)O ; N[C@@H](CCCO[P](O)(O)=O)C(O)=O; C(C[C@ @H](C(=O)O)N)COP(=O)(O)O |
5-(phosphonooxy)-L-norvaline |
| 7935 | 6GM ZINC000584904742 |
20 | C22 H20 N6 O | InChI=1S/C22H20N6O/c23-22 -26-20(16-7-9-19(29)10-8- 16)13-21(27-22)28(14-17-5 -1-3-11-24-17)15-18-6-2-4 -12-25-18/h1-13,29H,14-15 H2,(H2,23,26,27); LXSAXBJSZAHFFN-UHFFFAOYSA-N |
c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4cc c(cc4)O; Nc1nc(cc(n1)c2ccc(O)cc2)N(Cc3cc ccn3)Cc4ccccn4; c1cc(ccc1c2nc(N)nc(c2)N( Cc3ccccn3)Cc4ccccn4)O |
4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol |
| 7936 | 6GN ZINC000584904906 |
2 | C33 H45 N5 O7 S2 | InChI=1S/C33H43N5O7S2/c34 -14-20-44-22-23-45-21-16- 36-32(40)12-11-31(39)35-1 5-5-17-37-19-13-26(27-7-1 -2-8-28(27)37)25-33-38(18 -6-24-47(41,42)43)29-9-3- 4-10-30(29)46-33/h1-4,7-1 0,13,19H,5-6,11-12,14-18, 20-25,34H2,(H-2,35,36,39, 40,41,42,43)/p+2; WTDQEZATLRLHFH-UHFFFAOYSA-P |
c1ccc2c(c1)c(cc[n+]2CCCNC(=O)CCC(=O)NCCO CCOCCN)Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)O; C(N)COCCOCCNC(=O)CCC(NCCC[n+]3ccc(Cc2[n +](c1c(cccc1)s2)CCCS(O)(=O)=O)c4c3cccc4) =O; NCCOCCOCCNC(=O)CCC(=O)NCCC[n+]1ccc(C c2sc3ccccc3[n+]2CCC[S](O)(=O)=O)c4ccccc1 4 |
1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium |
| 7937 | 6GO CHEMBL226395 ZINC000004770610 |
2 | C6 H7 N5 O | InChI=1S/C6H7N5O/c1-12-5- 3-4(9-2-8-3)10-6(7)11-5/h 2H,1H3,(H3,7,8,9,10,11); BXJHWYVXLGLDMZ-UHFFFAOYSA-N |
COc1nc(N)nc2nc[nH]c12; COc1c2c(nc[nH]2)n c(n1)N; n1c(OC)c2c(nc1N)ncn2 |
6-O-methylguanine; 6-methoxy-7H-purin-2-amine |
| 7938 | 6GP CHEMBL1230492 ZINC000016052003 |
1 | C9 H15 N O8 | InChI=1S/C9H15NO8/c1-17-9 (16)7(15)10-8-6(14)5(13)4 (12)3(2-11)18-8/h3-6,8,11 -14H,2H2,1H3,(H,10,15)/t3 -,4-,5+,6-,8-/m1/s1; OHCAXSUQOPLGLU-QOHYDMMQSA-N |
COC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([ C@H](O1)CO)O)O)O; COC(=O)C(=O)N[C@@H]1O[ C@H](CO)[C@@H](O)[C@H](O)[C@H]1O; COC(=O )C(=O)NC1C(C(C(C(O1)CO)O)O)O; O=C(NC1OC( C(O)C(O)C1O)CO)C(=O)OC; COC(=O)C(=O)N[CH ]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine; METHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE; N-[methoxy(oxo)acetyl]-beta-D-glucosylamine; N-[methoxy(oxo)acetyl]-D-glucosylamine; N-[methoxy(oxo)acetyl]-glucosylamine |
| 7939 | 6GQ CHEMBL1401186 |
4 | C19 H24 N4 O3 S | InChI=1S/C19H24N4O3S/c1-1 6-6-8-17(9-7-16)27(25,26) 21(2)15-19(24)23-13-11-22 (12-14-23)18-5-3-4-10-20- 18/h3-10H,11-15H2,1-2H3; AVFZKEVCVCSCJE-UHFFFAOYSA-N |
O=C(CN(C)S(=O)(=O)c1ccc(C)cc1)N2CCN(CC2) c3ncccc3; CN(CC(=O)N1CCN(CC1)c2ccccn2)[S ](=O)(=O)c3ccc(C)cc3; Cc1ccc(cc1)S(=O)(= O)N(C)CC(=O)N2CCN(CC2)c3ccccn3 |
N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide |
| 7940 | 6GR | 2 | C13 H16 O8 | InChI=1S/C13H16O8/c14-5-8 -9(15)10(16)11(17)13(21-8 )20-7-4-2-1-3-6(7)12(18)1 9/h1-4,8-11,13-17H,5H2,(H ,18,19)/t8-,9-,10-,11+,13 +/m0/s1; TZPBMNKOLMSJPF-HKLXJQGRSA-N |
c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C @H]([C@@H](O2)CO)O)O)O; OC[CH]1O[CH](Oc2 ccccc2C(O)=O)[CH](O)[CH](O)[CH]1O; OC[C@ @H]1O[C@@H](Oc2ccccc2C(O)=O)[C@H](O)[C@@ H](O)[C@H]1O; c1ccc(c(c1)C(=O)O)OC2C(C(C (C(O2)CO)O)O)O; C2(O)C(O)C(Oc1c(C(=O)O)c ccc1)OC(C2O)CO |
2-(alpha-L-altropyranosyloxy)benzoic acid; 2-(alpha-L-altrosyloxy)benzoic acid; 2-(L-altrosyloxy)benzoic acid; 2-(altrosyloxy)benzoic acid |
| 7941 | 6GS CHEMBL556224 ZINC000096903058 |
2 | C10 H15 F N2 O11 P2 | InChI=1S/C10H15FN2O11P2/c 1-10(11)7(15)5(4-22-26(20 ,21)24-25(17,18)19)23-8(1 0)13-3-2-6(14)12-9(13)16/ h2-3,5,7-8,15H,4H2,1H3,(H ,20,21)(H,12,14,16)(H2,17 ,18,19)/t5-,7-,8-,10-/m1/ s1; VPPLCOBQDZAMRD-VPCXQMTMSA-N |
CC1(C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP( =O)(O)O)O)F; C[C@]1([C@@H]([C@H](O[C@H]1 N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)F ; C[C@@]1(F)[C@H](O)[C@@H](CO[P](O)(=O)O [P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O; O=P( O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C (F)(C2O)C; C[C]1(F)[CH](O)[CH](CO[P](O)( =O)O[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O |
2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate) |
| 7942 | 6GT CHEMBL185075 ZINC000002508023 |
1 | C7 H10 O5 | InChI=1S/C7H10O5/c8-5(7(1 1)12)3-1-2-4-6(9)10/h1-4H 2,(H,9,10)(H,11,12); HABHUTWTLGRDDU-UHFFFAOYSA-N |
O=C(CCCCC(C(=O)O)=O)O; OC(=O)CCCCC(=O)C( O)=O; C(CCC(=O)O)CC(=O)C(=O)O |
2-oxoheptanedioic acid; 2-Ketopimelic acid |
| 7943 | 6GU CHEMBL226396 ZINC000006523923 |
8 | C5 H4 Cl N5 | InChI=1S/C5H4ClN5/c6-3-2- 4(9-1-8-2)11-5(7)10-3/h1H ,(H3,7,8,9,10,11); RYYIULNRIVUMTQ-UHFFFAOYSA-N |
Clc2nc(nc1c2ncn1)N; Nc1nc(Cl)c2nc[nH]c2n 1; c1[nH]c2c(n1)c(nc(n2)N)Cl |
6-chloroguanine; 6-chloro-9H-purin-2-amine |
| 7944 | 6GV CHEMBL3985693 |
1 | C18 H19 F N4 O5 S | InChI=1S/C18H19FN4O5S/c1- 10(2)22(3)29(27,28)16-8-1 1(14(24)9-15(16)25)17-20- 21-18(26)23(17)13-7-5-4-6 -12(13)19/h4-10,24-25H,1- 3H3,(H,21,26); CTHMRJYHFQZMQB-UHFFFAOYSA-N |
CC(C)N(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(= O)N2c3ccccc3F; c3(O)cc(c(C1=NNC(N1c2cccc c2F)=O)cc3S(=O)(=O)N(C)C(C)C)O; CC(C)N(C )[S](=O)(=O)c1cc(c(O)cc1O)C2=NNC(=O)N2c3 ccccc3F |
5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide |
| 7945 | 6GW CHEMBL3907641 |
1 | C22 H20 N4 O4 S | InChI=1S/C22H20N4O4S/c1-1 3-6-3-4-8-17(13)26-20(23- 24-22(26)30)15-10-16(19(2 8)11-18(15)27)21(29)25(2) 12-14-7-5-9-31-14/h3-11,2 7-28H,12H2,1-2H3,(H,24,30 ); VAHNSEIURMSJCK-UHFFFAOYSA-N |
CN(Cc1sccc1)C(=O)c2cc(c(O)cc2O)C3=NNC(=O )N3c4ccccc4C; Cc1ccccc1N2C(=NNC2=O)c3cc( c(cc3O)O)C(=O)N(C)Cc4cccs4; c1c(c(C)ccc1 )N2C(=NNC2=O)c3c(cc(c(c3)C(N(Cc4cccs4)C) =O)O)O |
2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide |
| 7946 | 6GX CHEMBL4089730 ZINC000306122895 |
4 | C25 H29 N3 O3 | InChI=1S/C25H29N3O3/c1-18 -22(10-7-11-23(18)20-8-5- 4-6-9-20)17-31-24-13-12-2 1(25(28-24)30-3)16-26-14- 15-27-19(2)29/h4-13,26H,1 4-17H2,1-3H3,(H,27,29); JEDPSOYOYVELLZ-UHFFFAOYSA-N |
COc1nc(OCc2cccc(c2C)c3ccccc3)ccc1CNCCNC( C)=O; Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC )CNCCNC(=O)C; O(C)c1c(CNCCNC(=O)C)ccc(n1 )OCc2c(c(ccc2)c3ccccc3)C |
N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide |
| 7947 | 6GY CHEMBL3545311 DB12267 ZINC000148723177 |
4 | C29 H39 Cl N7 O2 P | InChI=1S/C29H39ClN7O2P/c1 -35-15-17-37(18-16-35)21- 11-13-36(14-12-21)22-9-10 -24(26(19-22)39-2)33-29-3 1-20-23(30)28(34-29)32-25 -7-5-6-8-27(25)40(3,4)38/ h5-10,19-21H,11-18H2,1-4H 3,(H2,31,32,33,34); AILRADAXUVEEIR-UHFFFAOYSA-N |
c1(cnc(nc1Nc2c(P(C)(=O)C)cccc2)Nc3ccc(cc 3OC)N4CCC(CC4)N5CCN(CC5)C)Cl; CN1CCN(CC1 )C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5 ccccc5P(=O)(C)C)Cl; COc1cc(ccc1Nc2ncc(Cl )c(Nc3ccccc3[P](C)(C)=O)n2)N4CCC(CC4)N5C CN(C)CC5 |
5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine; Brigatinib |
| 7948 | 6GZ ZINC000584904825 |
2 | C27 H28 Br N O3 | InChI=1S/C27H28BrNO3/c1-1 9-22(10-7-11-23(19)21-8-3 -2-4-9-21)18-32-26-14-13- 20(16-24(26)28)17-29-15-6 -5-12-25(29)27(30)31/h2-4 ,7-11,13-14,16,25H,5-6,12 ,15,17-18H2,1H3,(H,30,31) /t25-/m1/s1; QRXBPPWUGITQLE-RUZDIDTESA-N |
Cc1c(cccc1c2ccccc2)COc3ccc(cc3Br)CN4CCCC [C@@H]4C(=O)O; Cc1c(cccc1c2ccccc2)COc3cc c(cc3Br)CN4CCCCC4C(=O)O; Brc2cc(CN1C(C(O )=O)CCCC1)ccc2OCc3cccc(c3C)c4ccccc4; Cc1 c(COc2ccc(CN3CCCC[CH]3C(O)=O)cc2Br)cccc1 c4ccccc4; Cc1c(COc2ccc(CN3CCCC[C@@H]3C(O )=O)cc2Br)cccc1c4ccccc4 |
(2R)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid |
| 7949 | 6H0 ZINC000584904666 |
17 | C19 H23 N3 O5 S | InChI=1S/C19H23N3O5S/c20- 28(25,26)18-8-6-16(7-9-18 )19(24)22-13-15-4-3-5-17( 12-15)27-11-2-1-10-21-14- 23/h3-9,12,14H,1-2,10-11, 13H2,(H,21,23)(H,22,24)(H 2,20,25,26); ASGCSQAUBAMMLK-UHFFFAOYSA-N |
c1cc(cc(c1)OCCCCNC=O)CNC(=O)c2ccc(cc2)S( =O)(=O)N; N[S](=O)(=O)c1ccc(cc1)C(=O)NCc 2cccc(OCCCCNC=O)c2 |
~{N}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide |
| 7950 | 6H1 ZINC000584904688 |
6 | C15 H11 F3 O3 | InChI=1S/C15H11F3O3/c16-1 5(17,18)11-3-1-9(2-4-11)5 -10-6-13-14(7-12(10)19)21 -8-20-13/h1-4,6-7,19H,5,8 H2; CZTARKWMYGFNTE-UHFFFAOYSA-N |
c1cc(ccc1Cc2cc3c(cc2O)OCO3)C(F)(F)F; Oc1 cc2OCOc2cc1Cc3ccc(cc3)C(F)(F)F; c1(ccc(c c1)C(F)(F)F)Cc3c(cc2OCOc2c3)O |
6-{[4-(trifluoromethyl)phenyl]methyl}-2H-1,3-benzodioxol-5-ol |
| 7951 | 6H2 CHEMBL1527214 ZINC000000238901 |
1 | C13 H10 N2 O2 | InChI=1S/C13H10N2O2/c16-1 1-5-4-9(7-12(11)17)10-8-1 5-6-2-1-3-13(15)14-10/h1- 8,16-17H; JFYGSKNPLRBMMG-UHFFFAOYSA-N |
Oc1ccc(cc1O)c2cn3ccccc3n2; c3(c1cn2c(n1) cccc2)cc(c(cc3)O)O; c1ccn2cc(nc2c1)c3ccc (c(c3)O)O |
4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol |
| 7952 | 6H3 CHEMBL3884293 ZINC000584904719 |
5 | C24 H28 Cl N7 O | InChI=1S/C24H28ClN7O/c1-3 -22(33)28-20-6-4-5-7-21(2 0)29-23-19(25)16-26-24(30 -23)27-17-8-10-18(11-9-17 )32-14-12-31(2)13-15-32/h 4-11,16H,3,12-15H2,1-2H3, (H,28,33)(H2,26,27,29,30); IIMJCIGRKJCCHT-UHFFFAOYSA-N |
c3(cnc(Nc1ccc(cc1)N2CCN(C)CC2)nc3Nc4cccc c4NC(=O)CC)Cl; CCC(=O)Nc1ccccc1Nc2c(cnc( n2)Nc3ccc(cc3)N4CCN(CC4)C)Cl; CCC(=O)Nc1 ccccc1Nc2nc(Nc3ccc(cc3)N4CCN(C)CC4)ncc2C l |
N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide |
| 7953 | 6H4 CHEMBL3884960 ZINC000584904905 |
1 | C24 H25 Cl N6 O2 | InChI=1S/C24H25ClN6O2/c1- 3-22(32)28-20-6-4-5-7-21( 20)33-23-19(25)16-26-24(2 9-23)27-17-8-10-18(11-9-1 7)31-14-12-30(2)13-15-31/ h3-11,16H,1,12-15H2,2H3,( H,28,32)(H,26,27,29); WOQNVLPDIGPVKR-UHFFFAOYSA-N |
CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4cccc c4NC(=O)C=C)Cl; CN1CCN(CC1)c2ccc(Nc3ncc( Cl)c(Oc4ccccc4NC(=O)C=C)n3)cc2; c2c(ccc( N1CCN(C)CC1)c2)Nc4ncc(Cl)c(Oc3ccccc3NC(\ C=C)=O)n4 |
N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
| 7954 | 6H5 CHEMBL3797264 ZINC000584904855 |
3 | C30 H35 N5 O5 | InChI=1S/C30H35N5O5/c1-39 -22-7-5-8-23(18-22)40-27- 10-6-9-26(35-15-3-2-4-16- 35)24(27)19-33-30(32)34-2 8(36)21-13-11-20(12-14-21 )17-25(31)29(37)38/h5-14, 18,25H,2-4,15-17,19,31H2, 1H3,(H,37,38)(H3,32,33,34 ,36)/t25-/m0/s1; UDMPHIGEFLMAIW-VWLOTQADSA-N |
COc1cccc(Oc2cccc(N3CCCCC3)c2CNC(=N)NC(=O )c4ccc(C[CH](N)C(O)=O)cc4)c1; COc1cccc(c 1)Oc2cccc(c2CNC(=N)NC(=O)c3ccc(cc3)CC(C( =O)O)N)N4CCCCC4; [H]/N=C(/NCc1c(cccc1Oc2 cccc(c2)OC)N3CCCCC3)\NC(=O)c4ccc(cc4)C[C @@H](C(=O)O)N; COc1cccc(Oc2cccc(N3CCCCC3 )c2CNC(=N)NC(=O)c4ccc(C[C@H](N)C(O)=O)cc 4)c1; N(\C(=N)NCc1c(cccc1Oc2cccc(c2)OC)N 3CCCCC3)C(=O)c4ccc(cc4)CC(C(=O)O)N |
4-[(N-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-L-phenylalanine |
| 7955 | 6H6 | 5 | C10 H9 N O4 | InChI=1S/C10H9NO4/c12-9(1 3)5-6-11-7-3-1-2-4-8(7)15 -10(11)14/h1-4H,5-6H2,(H, 12,13)/p-1; BMLRDVCKJXMASM-UHFFFAOYSA-M |
[O-]C(=O)CCN1c2ccccc2OC1=O; OC(=O)CCN1C( =O)Oc2ccccc12; c1ccc2c(c1)N(C(=O)O2)CCC( =O)O |
3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid |
| 7956 | 6H7 | 1 | C15 H21 N3 O5 S | InChI=1S/C15H21N3O5S/c1-5 -10-9(6(2)19)14(21)18(10) 11(15(22)23)12(5)24-7-3-8 (13(16)20)17-4-7/h5-10,17 ,19H,3-4H2,1-2H3,(H2,16,2 0)(H,22,23)/t5-,6-,7+,8+, 9-,10-/m1/s1; PYMGGHYWYIWWQW-NRNPDCPVSA-N |
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3 C[C@H](NC3)C(=O)N)C(=O)O)[C@@H](C)O; C[C @@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O )C(O)=O)S[C@@H]3CN[C@@H](C3)C(N)=O; C[CH ](O)[CH]1[CH]2[CH](C)C(=C(N2C1=O)C(O)=O) S[CH]3CN[CH](C3)C(N)=O; CC1C2C(C(=O)N2C( =C1SC3CC(NC3)C(=O)N)C(=O)O)C(C)O; OC(C)C 1C(=O)N2C(=C(SC3CC(NC3)C(N)=O)C(C)C12)C( =O)O |
(1S,4R,5S,6S)-3-{[(3S,5S)-5-carbamoylpyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; ertapenem |
| 7957 | 6H8 CHEMBL4646981 |
1 | C9 H12 N6 | InChI=1S/C9H12N6/c1-12-9- 14-6-3-2-5(13-8(10)11)4-7 (6)15-9/h2-4H,1H3,(H4,10, 11,13)(H2,12,14,15); VXGAAYFONQATFF-UHFFFAOYSA-N |
[H]/N=C(/N)\Nc1ccc2c(c1)[nH]c(n2)NC; CNc 1[nH]c2cc(NC(N)=N)ccc2n1; CNc1[nH]c2cc(c cc2n1)NC(=N)N; c12c(ccc(NC(=N)\N)c1)nc(n 2)NC |
N-[2-(methylamino)-1H-benzimidazol-6-yl]guanidine |
| 7958 | 6H9 CHEMBL4639064 |
1 | C9 H11 N5 O | InChI=1S/C9H11N5O/c1-11-9 -12-6-3-2-5(8(15)14-10)4- 7(6)13-9/h2-4H,10H2,1H3,( H,14,15)(H2,11,12,13); UAYYHYYNSIPFPB-UHFFFAOYSA-N |
c2(nc1c(cc(cc1)C(=O)NN)n2)NC; CNc1[nH]c2 ccc(cc2n1)C(=O)NN |
2-(methylamino)-1H-benzimidazole-5-carbohydrazide |
| 7959 | 6HA ZINC000058632395 |
0 | C11 H16 N5 O6 P | InChI=1S/C11H16N5O6P/c12- 10-9-11(14-4-13-10)16(5-1 5-9)6-1-7(17)8(21-2-6)3-2 2-23(18,19)20/h4-8,17H,1- 3H2,(H2,12,13,14)(H2,18,1 9,20)/t6-,7-,8+/m0/s1; YTRYYFQQGYRCHL-BIIVOSGPSA-N |
Nc1ncnc2n(cnc12)[C@@H]3CO[C@H](CO[P](O)( O)=O)[C@@H](O)C3; Nc1ncnc2n(cnc12)[CH]3C O[CH](CO[P](O)(O)=O)[CH](O)C3; c1nc(c2c( n1)n(cn2)C3CC(C(OC3)COP(=O)(O)O)O)N; c1n c(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](OC3)C OP(=O)(O)O)O)N; O=P(O)(O)OCC3OCC(n1cnc2c (ncnc12)N)CC3O |
1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL |
| 7960 | 6HB ZINC000263620667 |
0 | C14 H20 N5 O7 P | InChI=1S/C14H20N5O7P/c1-2 -8(20)4-15-13-12-14(17-6- 16-13)19(7-18-12)11-3-9(2 1)10(26-11)5-25-27(22,23) 24/h2,6-11,20-21H,1,3-5H2 ,(H,15,16,17)(H2,22,23,24 )/t8-,9-,10+,11+/m0/s1; KQKWEOLKIBWBEK-UKKRHICBSA-N |
O[CH](CNc1ncnc2n(cnc12)[CH]3C[CH](O)[CH] (CO[P](O)(O)=O)O3)C=C; O[C@H](CNc1ncnc2n (cnc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O) =O)O3)C=C; O=P(O)(O)OCC3OC(n2cnc1c(ncnc1 2)NCC(O)/C=C)CC3O; C=C[C@@H](CNc1c2c(ncn 1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O )O)O)O; C=CC(CNc1c2c(ncn1)n(cn2)C3CC(C(O 3)COP(=O)(O)O)O)O |
2'-deoxy-N-[(2S)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate) |
| 7961 | 6HC ZINC000058632397 |
0 | C10 H16 N3 O7 P | InChI=1S/C10H16N3O7P/c11- 9-1-2-13(10(15)12-9)6-3-7 (14)8(19-4-6)5-20-21(16,1 7)18/h1-2,6-8,14H,3-5H2,( H2,11,12,15)(H2,16,17,18) /t6-,7-,8+/m0/s1; YMMHAKLJCAQJRS-BIIVOSGPSA-N |
C1C(COC(C1O)COP(=O)(O)O)N2C=CC(=NC2=O)N; O=C1N=C(N)C=CN1C2CC(O)C(OC2)COP(=O)(O)O ; NC1=NC(=O)N(C=C1)[CH]2CO[CH](CO[P](O)( O)=O)[CH](O)C2; NC1=NC(=O)N(C=C1)[C@@H]2 CO[C@H](CO[P](O)(O)=O)[C@@H](O)C2; C1[C@ @H](CO[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC( =NC2=O)N |
1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(CYTOSIN-1-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL |
| 7962 | 6HD CHEMBL4639735 |
1 | C9 H10 N4 O | InChI=1S/C9H10N4O/c1-11-9 -12-6-3-2-5(8(10)14)4-7(6 )13-9/h2-4H,1H3,(H2,10,14 )(H2,11,12,13); LOKXPWIZESGCLZ-UHFFFAOYSA-N |
CNc1[nH]c2ccc(cc2n1)C(N)=O; O=C(N)c1ccc2 c(c1)nc(n2)NC; CNc1[nH]c2ccc(cc2n1)C(=O) N |
2-(methylamino)-1H-benzimidazole-5-carboxamide |
| 7963 | 6HE | 2 | C32 H30 Fe N4 O2 | InChI=1S/C32H30N4O2.Fe/c1 -8-21-18(5)26-12-27-20(7) 23(10-11-32(37)38)31(36-2 7)14-25-17(4)16(3)24(33-2 5)13-29-22(9-2)19(6)28(35 -29)15-30(21)34-26;/h8-9, 12-15H,1-2,10-11H2,3-7H3, (H,37,38);/q-4;+4/b24-13- ,25-14-,26-12-,27-12-,28- 15-,29-13-,30-15-,31-14-;; SRARRCZCGQSASC-KUDQXVJQSA-N |
CC1=C(C)C2=Cc3n4c(C=C5[N@]6C(=Cc7n8c(C=C 1[N@]2[Fe@]468)c(CCC(O)=O)c7C)C(=C5C=C)C )c(C)c3C=C; O=C(O)CCc8c(c1n5c8C=C4C(=C(C 3=Cc6c(\C=C)c(c7C=C2C(\C=C)=C(C(=C1)N2[F e]5(N34)n67)C)C)C)C)C; Cc1c2n3c(c1CCC(=O )O)C=C4C(=C(C5=Cc6c(c(c7n6[Fe]3(N45)N8C( =C2)C(=C(C8=C7)C=C)C)C)C=C)C)C; CC1=C(C) C2=Cc3n4c(C=C5[N]6C(=Cc7n8c(C=C1[N]2[Fe] 468)c(CCC(O)=O)c7C)C(=C5C=C)C)c(C)c3C=C; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c( c7n6[Fe@@]3(N45)N8C(=C2)C(=C(C8=C7)C=C)C )C)C=C)C)C |
6-METHY-6-DEPROPIONATEHEMIN |
| 7964 | 6HF CHEMBL3885166 ZINC000584904738 |
2 | C26 H27 N7 O2 | InChI=1S/C26H27N7O2/c1-3- 23(34)28-18-6-10-21(11-7- 18)35-25-22-12-13-27-24(2 2)30-26(31-25)29-19-4-8-2 0(9-5-19)33-16-14-32(2)15 -17-33/h3-13H,1,14-17H2,2 H3,(H,28,34)(H2,27,29,30, 31); LPJIGUIJJBQRTQ-UHFFFAOYSA-N |
CN1CCN(CC1)c2ccc(Nc3nc4[nH]ccc4c(Oc5ccc( NC(=O)C=C)cc5)n3)cc2; CN1CCN(CC1)c2ccc(c c2)Nc3nc4c(cc[nH]4)c(n3)Oc5ccc(cc5)NC(=O )C=C; CN1CCN(CC1)c2ccc(cc2)Nc5nc3nccc3c( Oc4ccc(cc4)NC(=O)[C@H]=C)n5 |
N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide; CPT-1691; N-{4-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
| 7965 | 6HG ZINC000058633405 |
0 | C11 H16 N5 O7 P | InChI=1S/C11H16N5O7P/c12- 11-14-9-8(10(18)15-11)13- 4-16(9)5-1-6(17)7(22-2-5) 3-23-24(19,20)21/h4-7,17H ,1-3H2,(H2,19,20,21)(H3,1 2,14,15,18)/t5-,6-,7+/m0/ s1; IBBBHRHYCFXRDW-LYFYHCNISA-N |
O=C2NC(=Nc1n(cnc12)C3CC(O)C(OC3)COP(=O)( O)O)N; c1nc2c(n1C3CC(C(OC3)COP(=O)(O)O)O )N=C(NC2=O)N; c1nc2c(n1[C@H]3C[C@@H]([C@ H](OC3)COP(=O)(O)O)O)N=C(NC2=O)N; NC1=Nc 2n(cnc2C(=O)N1)[CH]3CO[CH](CO[P](O)(O)=O )[CH](O)C3; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3 CO[C@H](CO[P](O)(O)=O)[C@@H](O)C3 |
1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL |
| 7966 | 6HH CHEMBL4778859 |
1 | C23 H21 Cl N2 O2 | InChI=1S/C23H21ClN2O2/c24 -19-9-5-16(6-10-19)20-13- 17(14-26-21(20)25)15-3-7- 18(8-4-15)23(22(27)28)11- 1-2-12-23/h3-10,13-14H,1- 2,11-12H2,(H2,25,26)(H,27 ,28); VHQILBJBMFWZGW-UHFFFAOYSA-N |
c4c(C1(CCCC1)C(=O)O)ccc(c2cc(c(N)nc2)c3c cc(cc3)Cl)c4; c1cc(ccc1c2cc(c(nc2)N)c3cc c(cc3)Cl)C4(CCCC4)C(=O)O; Nc1ncc(cc1c2cc c(Cl)cc2)c3ccc(cc3)C4(CCCC4)C(O)=O |
1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid |
| 7967 | 6HI ZINC000011687461 |
8 | C27 H31 F2 N3 O5 | InChI=1S/C27H31F2N3O5/c1- 16(2)32-23(12-11-21(33)13 -22(34)14-24(35)36)25(18- 5-9-20(29)10-6-18)31-26(3 2)27(37)30-15-17-3-7-19(2 8)8-4-17/h3-10,16,21-22,3 3-34H,11-15H2,1-2H3,(H,30 ,37)(H,35,36)/t21-,22-/m1 /s1; KNKKPGAQSAHIHV-FGZHOGPDSA-N |
CC(C)n1c(c(nc1C(=O)NCc2ccc(cc2)F)c3ccc(c c3)F)CCC(CC(CC(=O)O)O)O; CC(C)n1c(CC[C@@ H](O)C[C@@H](O)CC(O)=O)c(nc1C(=O)NCc2ccc (F)cc2)c3ccc(F)cc3; CC(C)n1c(c(nc1C(=O)N Cc2ccc(cc2)F)c3ccc(cc3)F)CC[C@H](C[C@H]( CC(=O)O)O)O; CC(C)n1c(CC[CH](O)C[CH](O)C C(O)=O)c(nc1C(=O)NCc2ccc(F)cc2)c3ccc(F)c c3; O=C(NCc1ccc(F)cc1)c2nc(c(n2C(C)C)CCC (O)CC(O)CC(=O)O)c3ccc(F)cc3 |
(3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid |
| 7968 | 6HJ CHEMBL4094959 ZINC000584904734 |
1 | C22 H23 N7 O | InChI=1S/C22H23N7O/c1-3-1 8(30)28-10-6-7-14(11-28)2 9-22-19(21(23)24-13-25-22 )20(26-29)16-12-27(2)17-9 -5-4-8-15(16)17/h3-5,8-9, 12-14H,1,6-7,10-11H2,2H3, (H2,23,24,25)/t14-/m1/s1; KFYRXHYWURCCBT-CQSZACIVSA-N |
Cn1cc(c2c1cccc2)c3c4c(ncnc4n(n3)C5CCCN(C 5)C(=O)C=C)N; Cn1cc(c2c1cccc2)c3c4c(ncnc 4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N; Cn1cc(c 2ccccc12)c3nn([CH]4CCCN(C4)C(=O)C=C)c5nc nc(N)c35; Cn1cc(c2ccccc12)c3nn([C@@H]4CC CN(C4)C(=O)C=C)c5ncnc(N)c35; c12ncnc(c1c (nn2C3CN(C(/C=C)=O)CCC3)c5c4ccccc4n(c5)C )N |
(R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one |
| 7969 | 6HK CHEMBL550073 ZINC000043016401 |
1 | C20 H18 N4 O3 | InChI=1S/C20H18N4O3/c1-24 -11-21-10-18(24)13-4-5-14 -16(9-13)22-15-6-3-12(8-1 9(25)27-2)7-17(15)23-20(1 4)26/h3-7,9-11,22H,8H2,1- 2H3,(H,23,26); VHPMIVHLGSAOKI-UHFFFAOYSA-N |
Cn1cncc1c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O )OC; O=C(OC)Cc3cc4NC(=O)c2c(cc(c1cncn1C) cc2)Nc4cc3; COC(=O)Cc1ccc2Nc3cc(ccc3C(=O )Nc2c1)c4cncn4C |
methyl [3-(1-methyl-1H-imidazol-5-yl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate |
| 7970 | 6HL CHEMBL4095447 ZINC000584904896 |
2 | C23 H22 N6 O | InChI=1S/C23H22N6O/c1-2-1 9(30)28-12-6-9-16(13-28)2 9-23-20(22(24)25-14-26-23 )21(27-29)18-11-5-8-15-7- 3-4-10-17(15)18/h2-5,7-8, 10-11,14,16H,1,6,9,12-13H 2,(H2,24,25,26)/t16-/m1/s 1; WAJKANXMXJLTKT-MRXNPFEDSA-N |
Nc1ncnc2n(nc(c3cccc4ccccc34)c12)[CH]5CCC N(C5)C(=O)C=C; Nc1ncnc2n(nc(c3cccc4ccccc 34)c12)[C@@H]5CCCN(C5)C(=O)C=C; C=CC(=O) N1CCC[C@H](C1)n2c3c(c(n2)c4cccc5c4cccc5) c(ncn3)N; c12ncnc(c1c(nn2C3CN(C([C@H]=C) =O)CCC3)c5c4ccccc4ccc5)N; C=CC(=O)N1CCCC (C1)n2c3c(c(n2)c4cccc5c4cccc5)c(ncn3)N |
(R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one |
| 7971 | 6HM CHEMBL1595667 ZINC000001615121 |
2 | C16 H14 O4 | InChI=1S/C16H14O4/c17-15( 18)14(16(19)20)10-12-8-4- 5-9-13(12)11-6-2-1-3-7-11 /h1-9,14H,10H2,(H,17,18)( H,19,20); NRIDIKKHBOBNRS-UHFFFAOYSA-N |
c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O; OC(= O)C(Cc1ccccc1c2ccccc2)C(O)=O; c2ccc(c1cc ccc1)c(CC(C(O)=O)C(O)=O)c2 |
[([1,1'-biphenyl]-2-yl)methyl]propanedioic acid |
| 7972 | 6HN CHEMBL1230498 ZINC000038235104 |
2 | C6 H12 N2 O4 | InChI=1S/C6H12N2O4/c7-5(6 (9)10)3-1-2-4-8(11)12/h5H ,1-4,7H2,(H,9,10)/t5-/m0/ s1; LMSAJWJHQUHKSX-YFKPBYRVSA-N |
C(CC[N+](=O)[O-])CC(C(=O)O)N; N[C@@H](CC CC[N+]([O-])=O)C(O)=O; [O-][N+](=O)CCCCC (N)C(=O)O; C(CC[N+](=O)[O-])C[C@@H](C(=O )O)N; N[CH](CCCC[N+]([O-])=O)C(O)=O |
6-nitro-L-norleucine |
| 7973 | 6HO CHEMBL3818090 ZINC000584904717 |
1 | C11 H10 F N O | InChI=1S/C11H10FNO/c12-10 -5-3-4-9(8-10)11(14)13-6- 1-2-7-13/h1-5,8H,6-7H2; IGCBBGNMEVMXTB-UHFFFAOYSA-N |
c1cc(cc(c1)F)C(=O)N2CC=CC2; Fc1cccc(c1)C (=O)N2CC=CC2; c1(cc(ccc1)C(=O)N2CC=CC2)F |
(2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone |
| 7974 | 6HP CHEMBL3819543 ZINC000584904749 |
1 | C10 H16 N2 O3 | InChI=1S/C10H16N2O3/c1-7( 2)6-15-9-5-8(13)11(3)10(1 4)12(9)4/h5,7H,6H2,1-4H3; NBDGERYKSQRETJ-UHFFFAOYSA-N |
CC(C)COC1=CC(=O)N(C)C(=O)N1C; CC(COC=1N( C(=O)N(C(C=1)=O)C)C)C; CC(C)COC1=CC(=O)N (C(=O)N1C)C |
1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione |
| 7975 | 6HQ ZINC000000393448 |
1 | C6 H10 N2 O2 | InChI=1S/C6H10N2O2/c1-6(2 )4(9)7-5(10)8(6)3/h1-3H3, (H,7,9,10); ZNYIPTYJBRGSSL-UHFFFAOYSA-N |
CC1(C(=O)NC(=O)N1C)C; CN1C(=O)NC(=O)C1(C )C |
1,5,5-trimethylimidazolidine-2,4-dione |
| 7976 | 6HR CHEMBL3819367 ZINC000584904735 |
1 | C20 H22 N2 O S | InChI=1S/C20H22N2OS/c1-14 -6-3-4-8-18(14)19-12-16(1 0-9-15(19)2)21-20-22-17(1 3-24-20)7-5-11-23/h3-4,6, 8-10,12-13,23H,5,7,11H2,1 -2H3,(H,21,22); KHYLEUBWCWVZDG-UHFFFAOYSA-N |
Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO; Cc1c cccc1c2c(ccc(c2)Nc3nc(CCCO)cs3)C; Cc1ccc cc1c2cc(Nc3scc(CCCO)n3)ccc2C |
3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol |
| 7977 | 6HS CHEMBL3245224 ZINC000095920532 |
0 | C19 H36 N4 O8 | InChI=1S/C19H36N4O8/c1-19 (27)7-28-18(13(26)16(19)2 3-2)31-15-11(22)5-10(21)1 4(12(15)25)30-17-9(20)4-3 -8(6-24)29-17/h3,9-18,23- 27H,4-7,20-22H2,1-2H3/t9- ,10+,11-,12+,13-,14-,15+, 16-,17-,18-,19+/m1/s1; IZDCJSIPHXBXBL-YFMIWBNJSA-N |
CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C (O3)CO)N)N)N)O; CN[C@@H]1[C@@H](O)[C@H]( OC[C@]1(C)O)O[C@H]2[C@H](N)C[C@H](N)[C@@ H](O[C@H]3OC(=CC[C@H]3N)CO)[C@@H]2O; C[C @@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[ C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@ @H](CC=C(O3)CO)N)N)N)O; O(C2C(O)C(OC1OC( =CCC1N)CO)C(N)CC2N)C3OCC(O)(C(NC)C3O)C; CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH] (N)C[CH](N)[CH](O[CH]3OC(=CC[CH]3N)CO)[C H]2O |
(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside; 6'-hydroxysisomicin |
| 7978 | 6HT CHEMBL1160817 ZINC000013538484 |
0 | C11 H17 N2 O8 P | InChI=1S/C11H17N2O8P/c1-6 -3-13(11(16)12-10(6)15)7- 2-8(14)9(20-4-7)5-21-22(1 7,18)19/h3,7-9,14H,2,4-5H 2,1H3,(H,12,15,16)(H2,17, 18,19)/t7-,8-,9+/m0/s1; CCUHDSVZYOGFIW-XHNCKOQMSA-N |
CC1=CN(C(=O)NC1=O)C2CC(C(OC2)COP(=O)(O)O )O; CC1=CN([CH]2CO[CH](CO[P](O)(O)=O)[CH ](O)C2)C(=O)NC1=O; CC1=CN([C@@H]2CO[C@H] (CO[P](O)(O)=O)[C@@H](O)C2)C(=O)NC1=O; C C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](OC2 )COP(=O)(O)O)O; O=C1NC(=O)N(C=C1C)C2CC(O )C(OC2)COP(=O)(O)O |
1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(THYMIN-1-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL |
| 7979 | 6HU ZINC000584904817 |
1 | C23 H30 N4 O3 | InChI=1S/C23H30N4O3/c1-16 -6-4-5-7-19(16)20-13-21(2 2(12-17(20)2)30-11-9-24)2 5-23-8-10-27(26-23)14-18( 15-28)29-3/h4-8,10,12-13, 18,28H,9,11,14-15,24H2,1- 3H3,(H,25,26)/t18-/m0/s1; PUPHJJGGIHFEJD-SFHVURJKSA-N |
CO[C@H](CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)c3cc ccc3C)n1; Cc1ccccc1c2cc(c(cc2C)OCCN)Nc3c cn(n3)C[C@@H](CO)OC; COC(CO)Cn3ccc(Nc1cc (c(cc1OCCN)C)c2c(cccc2)C)n3; CO[CH](CO)C n1ccc(Nc2cc(c(C)cc2OCCN)c3ccccc3C)n1; Cc 1ccccc1c2cc(c(cc2C)OCCN)Nc3ccn(n3)CC(CO) OC |
(2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol |
| 7980 | 6HV CHEMBL3819446 ZINC000584904897 |
1 | C18 H15 N O S | InChI=1S/C18H15NOS/c1-12- 5-3-4-6-15(12)16-11-14(8- 7-13(16)2)17(20)18-19-9-1 0-21-18/h3-11H,1-2H3; WEOQMVQEKRDUIM-UHFFFAOYSA-N |
Cc1ccccc1c2cc(ccc2C)C(=O)c3sccn3; Cc1ccc cc1c3c(ccc(C(=O)c2nccs2)c3)C; Cc1ccccc1c 2cc(ccc2C)C(=O)c3nccs3 |
(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone |
| 7981 | 6HW CHEMBL3818591 ZINC000584904800 |
1 | C17 H16 N2 S | InChI=1S/C17H16N2S/c1-12- 5-3-4-6-15(12)16-11-14(8- 7-13(16)2)19-17-18-9-10-2 0-17/h3-11H,1-2H3,(H,18,1 9); OZBQQKIXAODXQL-UHFFFAOYSA-N |
Cc1ccccc1c2cc(ccc2C)Nc3nccs3; Cc1ccccc1c 2cc(Nc3sccn3)ccc2C; Cc1ccccc1c2c(ccc(c2) Nc3nccs3)C |
N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine |
| 7982 | 6HX CHEMBL3819345 |
1 | C13 H12 Cl N | InChI=1S/C13H12ClN/c1-9-6 -7-10(15)8-12(9)11-4-2-3- 5-13(11)14/h2-8H,15H2,1H3; QLKVQWRDOWGQQP-UHFFFAOYSA-N |
Cc1ccc(cc1c2ccccc2Cl)N; Cc1ccc(N)cc1c2cc ccc2Cl; Cc1c(cc(N)cc1)c2ccccc2Cl |
2'-chloro-6-methyl[1,1'-biphenyl]-3-amine |
| 7983 | 6HY ZINC000032147064 |
12 | C9 H9 N O4 | InChI=1S/C9H9NO4/c11-7(2- 4-9(13)14)6-1-3-8(12)10-5 -6/h1,3,5H,2,4H2,(H,10,12 )(H,13,14); OMAJIMAYOJBLJF-UHFFFAOYSA-N |
OC(=O)CCC(=O)C1=CNC(=O)C=C1; C1=CC(=O)NC =C1C(=O)CCC(=O)O |
4-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid |
| 7984 | 6HZ CHEMBL3818759 ZINC000584904750 |
1 | C19 H19 N O | InChI=1S/C19H19NO/c1-14-7 -3-4-8-17(14)18-13-16(10- 9-15(18)2)19(21)20-11-5-6 -12-20/h3-10,13H,11-12H2, 1-2H3; NIOIWNZLGVRPNS-UHFFFAOYSA-N |
Cc1ccccc1c3cc(C(=O)N2CC=CC2)ccc3C; Cc1cc ccc1c2cc(ccc2C)C(=O)N3CC=CC3 |
(2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone |
| 7985 | 6I0 | 2 | C22 H23 Cl N4 O4 | InChI=1S/C22H23ClN4O4/c23 -17-3-1-2-14-8-13(9-16(14 )17)10-24-7-6-15-11-27(22 (29)31-15)19-5-4-18-21(25 -19)26-20(28)12-30-18/h1- 5,13,15,24H,6-12H2,(H,25, 26,28); UEWSGKREJWLMAB-UHFFFAOYSA-N |
Clc1cccc2C[C@H](CNCC[C@H]3CN(C(=O)O3)c4c cc5OCC(=O)Nc5n4)Cc12; c1cc2c(c(c1)Cl)C[C @H](C2)CNCC[C@H]3CN(C(=O)O3)c4ccc5c(n4)N C(=O)CO5; c1cc2c(c(c1)Cl)CC(C2)CNCCC3CN( C(=O)O3)c4ccc5c(n4)NC(=O)CO5; O=C1COc2cc c(nc2N1)N1CC(CCNCC2Cc3cccc(Cl)c3C2)OC1=O ; Clc1cccc2C[CH](CNCC[CH]3CN(C(=O)O3)c4c cc5OCC(=O)Nc5n4)Cc12 |
6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one |
| 7986 | 6I1 | 1 | C35 H26 N2 O7 | InChI=1S/C35H26N2O7/c1-18 -22(33(41)32-25(38)7-4-8- 26(32)39)14-15-24-29(18)3 4(42)37(35(43)36(24)2)17- 28(40)44-27-16-12-21-10-9 -19-5-3-6-20-11-13-23(27) 31(21)30(19)20/h3,5-6,9-1 6,38H,4,7-8,17H2,1-2H3; SFJMSYJSOPJDJE-UHFFFAOYSA-N |
Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC(=O)Oc3ccc4 ccc5cccc6c5c4c3cc6)C(=O)C7=C(CCCC7=O)O; CN1C(=O)N(CC(=O)Oc2ccc3ccc4cccc5ccc2c3c4 5)C(=O)c6c(C)c(ccc16)C(=O)C7=C(O)CCCC7=O |
pyren-1-yl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate |
| 7987 | 6I2 | 2 | C46 H43 N3 O6 | InChI=1S/C46H43N3O6/c1-31 -9-13-41-37(23-31)39(27-4 5(50)51)43(54-41)15-11-33 -5-3-7-35(25-33)29-47-17- 18-48-19-21-49(22-20-48)3 0-36-8-4-6-34(26-36)12-16 -44-40(28-46(52)53)38-24- 32(2)10-14-42(38)55-44/h3 -10,13-14,23-26,47H,17-22 ,27-30H2,1-2H3,(H,50,51)( H,52,53); PQJUNYNNRHSPEP-UHFFFAOYSA-N |
Cc1ccc2oc(C#Cc3cccc(CNCCN4CCN(CC4)Cc5ccc c(c5)C#Cc6oc7ccc(C)cc7c6CC(O)=O)c3)c(CC( O)=O)c2c1; Cc1ccc2c(c1)c(c(o2)C#Cc3cccc( c3)CNCCN4CCN(CC4)Cc5cccc(c5)C#Cc6c(c7cc( ccc7o6)C)CC(=O)O)CC(=O)O; O=C(O)Cc1c2cc( C)ccc2oc1C#Cc1cccc(c1)CNCCN1CCN(CC1)Cc1c ccc(c1)C#Cc1oc2ccc(C)cc2c1CC(=O)O |
{2-[(3-{[4-(2-{[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}phenyl)methyl]amino}ethyl)piperazin-1-yl]methyl}phenyl)ethynyl]-5-methyl-1-benzofuran-3-yl}acetic acid |
| 7988 | 6I3 ZINC000001475011 |
1 | C20 H22 N4 O4 S | InChI=1S/C20H22N4O4S/c1-2 4-15-8-6-5-7-14(15)22-20( 24)29-12-17(25)23-21-11-1 3-9-10-16(26-2)19(28-4)18 (13)27-3/h5-11H,12H2,1-4H 3,(H,23,25)/b21-11+; CKRLLWUTMXLHQI-SRZZPIQSSA-N |
Cn1c2ccccc2nc1SCC(=O)N/N=C/c3ccc(c(c3OC) OC)OC; COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n 2C)c(OC)c1OC; COc1ccc(C=NNC(=O)CSc2nc3cc ccc3n2C)c(OC)c1OC; Cn1c2ccccc2nc1SCC(=O) NN=Cc3ccc(c(c3OC)OC)OC |
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]ethanamide |
| 7989 | 6I4 CHEMBL5093860 |
1 | C15 H14 N2 | InChI=1S/C15H14N2/c1-9-5- 8-13-12-4-2-3-11(10-6-7-1 0)14(12)17-15(13)16-9/h2- 5,8,10H,6-7H2,1H3,(H,16,1 7); QMVQHFCXSBAHPD-UHFFFAOYSA-N |
Cc1ccc2c3cccc(c3[nH]c2n1)C4CC4; Cc1ccc2c ([nH]c3c(cccc23)C4CC4)n1 |
8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole |
| 7990 | 6I6 | 2 | C18 H19 N5 O2 | InChI=1S/C18H19N5O2/c1-3- 16-21-17(22-25-16)12-4-6- 14-11(8-12)5-7-15(14)20-1 8(24)13-9-19-23(2)10-13/h 4,6,8-10,15H,3,5,7H2,1-2H 3,(H,20,24)/t15-/m1/s1; IOVAZWDIRCRMTM-OAHLLOKOSA-N |
CCc1onc(n1)c2ccc3[CH](CCc3c2)NC(=O)c4cnn (C)c4; CCc1nc(no1)c2ccc3c(c2)CCC3NC(=O)c 4cnn(c4)C; CCc1onc(n1)c2ccc3[C@@H](CCc3c 2)NC(=O)c4cnn(C)c4; CCc1nc(no1)c2ccc3c(c 2)CC[C@H]3NC(=O)c4cnn(c4)C |
aficamten; ~{N}-[(1~{R})-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1~{H}-inden-1-yl]-1-methyl-pyrazole-4-carboxamide |
| 7991 | 6I7 CHEMBL4279774 |
1 | C25 H29 Cl N2 O2 | InChI=1S/C25H29ClN2O2/c1- 24(2)15-18(16-25(3,4)30-2 4)20-14-22(17-10-12-19(26 )13-11-17)28(27-20)21-8-6 -7-9-23(21)29-5/h6-14,18H ,15-16H2,1-5H3; LDURKOGJFOYENC-UHFFFAOYSA-N |
CC1(CC(CC(O1)(C)C)c2cc(n(n2)c3ccccc3OC)c 4ccc(cc4)Cl)C; COc1ccccc1n2nc(cc2c3ccc(C l)cc3)C4CC(C)(C)OC(C)(C)C4 |
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole |
| 7992 | 6I9 | 2 | C23 H25 N3 O | InChI=1S/C23H25N3O/c1-15( 2)23(27)24-18-9-10-20-19( 13-18)22(26-11-4-12-26)14 -21(25-20)17-7-5-16(3)6-8 -17/h5-10,13-15H,4,11-12H 2,1-3H3,(H,24,27); AFBJKYFELZJATR-UHFFFAOYSA-N |
CC(C)C(=O)Nc1cc2c(nc(cc2N2CCC2)c2ccc(C)c c2)cc1; Cc1ccc(cc1)c2cc(c3cc(ccc3n2)NC(= O)C(C)C)N4CCC4; CC(C)C(=O)Nc1ccc2nc(cc(N 3CCC3)c2c1)c4ccc(C)cc4 |
N-[4-(azetidin-1-yl)-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide |
| 7993 | 6IA DB07205 ZINC000034390682 |
8 | C15 H24 N5 O7 P | InChI=1S/C15H24N5O7P/c1-8 (2)3-4-16-13-10-14(18-6-1 7-13)20(7-19-10)15-12(22) 11(21)9(27-15)5-26-28(23, 24)25/h6-9,11-12,15,21-22 H,3-5H2,1-2H3,(H,16,17,18 )(H2,23,24,25)/t9-,11-,12 -,15-/m1/s1; GZJXCRHEMLAMRA-SDBHATRESA-N |
O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCCC(C)C) C(O)C3O; CC(C)CCNc1ncnc2n(cnc12)[CH]3O[C H](CO[P](O)(O)=O)[CH](O)[CH]3O; CC(C)CCN c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O) O)O; CC(C)CCNc1ncnc2n(cnc12)[C@@H]3O[C@H ](CO[P](O)(O)=O)[C@@H](O)[C@H]3O; CC(C)C CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([ C@H](O3)COP(=O)(O)O)O)O |
N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE |
| 7994 | 6IB | 3 | C32 H45 N3 O3 | InChI=1S/C32H45N3O3/c1-33 -14-11-23-7-9-30(36-4)26( 17-23)21-28-19-25(13-16-3 5-3)20-29(32(28)38-6)22-2 7-18-24(12-15-34-2)8-10-3 1(27)37-5/h7-10,17-20,33- 35H,11-16,21-22H2,1-6H3; DXEVTBAWIGXNAW-UHFFFAOYSA-N |
CNCCc1ccc(c(c1)Cc2cc(cc(c2OC)Cc3cc(ccc3O C)CCNC)CCNC)OC; CNCCc1ccc(OC)c(Cc2cc(CCN C)cc(Cc3cc(CCNC)ccc3OC)c2OC)c1 |
2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine |
| 7995 | 6IC CHEMBL5081048 |
3 | C33 H31 F3 N6 O2 | InChI=1S/C33H31F3N6O2/c1- 2-23-26(35)7-4-18-10-22(4 3)11-24(27(18)23)29-28(36 )30-25(13-37-29)31(41-15- 20-5-6-21(16-41)38-20)40- 32(39-30)44-17-33-8-3-9-4 2(33)14-19(34)12-33/h1,4, 7,10-11,13,19-21,38,43H,3 ,5-6,8-9,12,14-17H2/t19-, 20-,21+,33+/m1/s1; SCLLZBIBSFTLIN-INOGPEIASA-N |
FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N1C C2CCC(N2)C1)c1cc(O)cc2ccc(F)c(C#C)c21; O c1cc2ccc(F)c(C#C)c2c(c1)c3ncc4c(nc(OC[C] 56CCCN5C[CH](F)C6)nc4c3F)N7C[CH]8CC[CH]( C7)N8; C#Cc1c(ccc2c1c(cc(c2)O)c3c(c4c(cn 3)c(nc(n4)OCC56CCCN5CC(C6)F)N7CC8CCC(C7) N8)F)F; Oc1cc2ccc(F)c(C#C)c2c(c1)c3ncc4c (nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N7C [C@H]8CC[C@@H](C7)N8; C#Cc1c(ccc2c1c(cc( c2)O)c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C [C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)F |
4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol; MRTX-1133 |
| 7996 | 6ID | 1 | C61 H112 N34 O9 | InChI=1S/C61H112N34O9/c62 -46(98)37(13-6-23-78-55(6 3)64)88-50(100)39(15-8-25 -80-57(67)68)90-52(102)41 (17-10-27-82-59(71)72)92- 54(104)43(19-12-29-84-61( 75)76)93-53(103)42(18-11- 28-83-60(73)74)91-51(101) 40(16-9-26-81-58(69)70)89 -49(99)38(14-7-24-79-56(6 5)66)87-44(96)20-4-2-1-3- 5-21-45(97)94-31-33-95(34 -32-94)48-36-22-30-77-47( 36)85-35-86-48/h22,30,35, 37-43H,1-21,23-29,31-34H2 ,(H2,62,98)(H,87,96)(H,88 ,100)(H,89,99)(H,90,102)( H,91,101)(H,92,104)(H,93, 103)(H4,63,64,78)(H4,65,6 6,79)(H4,67,68,80)(H4,69, 70,81)(H4,71,72,82)(H4,73 ,74,83)(H4,75,76,84)(H,77 ,85,86)/t37-,38-,39-,40-, 41-,42-,43-/m1/s1; SSDHZXINAGNUJJ-UMZPFTBHSA-N |
NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N )NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC CNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[ C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N )NC(=O)CCCCCCCC(=O)N1CCN(CC1)c2ncnc3[nH] ccc23)C(N)=O; c1c[nH]c2c1c(ncn2)N3CCN(CC 3)C(=O)CCCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NC (CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C CCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC NC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N; [H]/N =C(\N)/NCCC[C@H](C(=O)N[C@H](CCCN/C(=N/[ H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O) N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN /C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/ N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)CC CCCCCC(=O)N1CCN(CC1)c2c3cc[nH]c3ncn2; NC (=N)NCCC[CH](NC(=O)[CH](CCCNC(N)=N)NC(=O )[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)N C(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N) =N)NC(=O)[CH](CCCNC(N)=N)NC(=O)CCCCCCCC( =O)N1CCN(CC1)c2ncnc3[nH]ccc23)C(N)=O |
~{N}-[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-azanyl-5-[[$l^{1}-azanyl($l^{2}-azanylidene)methyl]-$l^{2}-azanyl]-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide |
| 7997 | 6IF | 0 | C22 H39 Cl N2 O6 S | InChI=1S/C22H39ClN2O6S/c1 -10(2)7-12-5-6-30-19-13(8 -12)9-24-15(19)21(29)25-1 4(11(3)23)20-17(27)16(26) 18(28)22(31-20)32-4/h10-2 0,22,24,26-28H,5-9H2,1-4H 3,(H,25,29)/t11-,12-,13-, 14+,15-,16-,17+,18+,19+,2 0+,22+/m0/s1; JPCLUJPDWMBCAA-SUTQZAMLSA-N |
C[C@@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H] ([C@H](O1)SC)O)O)O)NC(=O)[C@@H]2[C@H]3[C @@H](C[C@@H](CCO3)CC(C)C)CN2)Cl; CS[CH]1 O[CH]([CH](O)[CH](O)[CH]1O)[CH](NC(=O)[C H]2NC[CH]3C[CH](CCO[CH]23)CC(C)C)[CH](C) Cl; CS[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H ]1O)[C@H](NC(=O)[C@H]2NC[C@@H]3C[C@@H](C CO[C@@H]23)CC(C)C)[C@H](C)Cl; OC1C(O)C(O )C(OC1SC)C(NC(=O)C1NCC2CC(CC(C)C)CCOC21) C(C)Cl; CC(C)CC1CCOC2C(C1)CNC2C(=O)NC(C3 C(C(C(C(O3)SC)O)O)O)C(C)Cl |
methyl 7-chloro-6,7,8-trideoxy-6-{[(4S,5aS,8S,8aR)-4-(2-methylpropyl)octahydro-2H-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-L-threo-alpha-D-galacto-octopyranoside |
| 7998 | 6IG ZINC000024801045 |
2 | C27 H35 N5 O | InChI=1S/C27H35N5O/c1-3-2 3-25(26(31-27(28)30-23)29 -15-14-20-9-5-4-6-10-20)2 2-13-12-21-11-7-16-32(24( 21)19-22)17-8-18-33-2/h4- 6,9-10,12-13,19H,3,7-8,11 ,14-18H2,1-2H3,(H3,28,29, 30,31); DGNIHJBLLNEWQZ-UHFFFAOYSA-N |
CCc1c(c(nc(n1)N)NCCc2ccccc2)c3ccc4c(c3)N (CCC4)CCCOC; n3c(c(c1ccc2c(c1)N(CCC2)CCC OC)c(nc3N)NCCc4ccccc4)CC; CCc1nc(N)nc(NC Cc2ccccc2)c1c3ccc4CCCN(CCCOC)c4c3 |
6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE |
| 7999 | 6IH | 2 | C23 H30 N7 O9 S | InChI=1S/C23H29N7O9S/c1-3 7-14-5-11(13(30(35)36)6-1 5(14)38-2)7-40(4-3-12(24) 23(33)34)8-16-18(31)19(32 )22(39-16)29-10-28-17-20( 25)26-9-27-21(17)29/h5-6, 9-10,12,16,18-19,22,31-32 H,3-4,7-8,24H2,1-2H3,(H2- ,25,26,27,33,34)/p+1/t12- ,16-,18-,19-,22-,40-/m1/s 1; NCSAUAMMJYNZMS-PKJLSVNESA-O |
COc1cc(C[S+](CC[CH](N)C(O)=O)C[CH]2O[CH] ([CH](O)[CH]2O)n3cnc4c(N)ncnc34)c(cc1OC) [N+]([O-])=O; COc1cc(c(cc1OC)[N+](=O)[O- ])C[S@@+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H] ([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O; COc 1cc(C[S@@+](CC[C@@H](N)C(O)=O)C[C@H]2O[C @H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)c( cc1OC)[N+]([O-])=O; COc1cc(c(cc1OC)[N+]( =O)[O-])C[S+](CCC(C(=O)O)N)CC2C(C(C(O2)n 3cnc4c3ncnc4N)O)O |
4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine |
| 8000 | 6II | 2 | C6 H15 O15 P3 | InChI=1S/C6H15O15P3/c7-1- 2-4(19-22(9,10)11)5(20-23 (12,13)14)3(8)6(18-2)21-2 4(15,16)17/h2-8H,1H2,(H2, 9,10,11)(H2,12,13,14)(H2, 15,16,17)/t2-,3-,4-,5-,6+ /m1/s1; IXJMLEYTDGNHLU-UKFBFLRUSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP (=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O; OC[C H]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O )(O)=O)[CH]1O[P](O)(O)=O; C(C1C(C(C(C(O1 )OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O; O C[C@H]1O[C@@H](O[P](O)(O)=O)[C@H](O)[C@@ H](O[P](O)(O)=O)[C@@H]1O[P](O)(O)=O |
beta-D-glucopyranosyl 1,3,4-trisphosphate; [(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5-oxidanyl-3,6-diphosphonooxy-oxan-4-yl] dihydrogen phosphate |
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