Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 30801 |  OAC DB01662 |
1 | C10 H12 O3 | InChI=1S/C10H12O3/c1-7(10 (12)13)6-8-4-2-3-5-9(8)11 /h2-5,7,11H,6H2,1H3,(H,12 ,13)/t7-/m1/s1; HGNFDPZASRDVLL-SSDOTTSWSA-N |
C[C@H](Cc1ccccc1O)C(O)=O; CC(Cc1ccccc1O) C(=O)O; O=C(O)C(Cc1ccccc1O)C; C[CH](Cc1c cccc1O)C(O)=O |
TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE |
| 30802 |  OAD DB03478 ZINC000058638658 |
9 | C17 H25 N5 O15 P2 | InChI=1S/C17H25N5O15P2/c1 -6(23)34-13-11(25)8(36-17 (13)27)3-33-39(30,31)37-3 8(28,29)32-2-7-10(24)12(2 6)16(35-7)22-5-21-9-14(18 )19-4-20-15(9)22/h4-5,7-8 ,10-13,16-17,24-27H,2-3H2 ,1H3,(H,28,29)(H,30,31)(H 2,18,19,20)/t7-,8-,10-,11 -,12-,13-,16-,17+/m1/s1; BFNOPXRXIQJDHO-DLFWLGJNSA-N |
CC(=O)OC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC 2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O; CC(=O)O[ CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O) OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncn c34)[CH]1O; O=C(OC1C(O)C(OC1O)COP(=O)(O) OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O )C; CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O )CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@ H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O; CC(=O)O[C@H]1[C@@H](O)O[C@H](CO[P](O)(= O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@ H]2O)n3cnc4c(N)ncnc34)[C@H]1O |
2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE |
| 30803 |  OAE ZINC000034064296 |
10 | C16 H21 N3 O5 S | InChI=1S/C16H21N3O5S/c1-1 6(2)11(15(23)24)19-13(25- 16)10(14(21)22)18-12(20)9 (17)8-6-4-3-5-7-8/h3-7,9- 11,13,19H,17H2,1-2H3,(H,1 8,20)(H,21,22)(H,23,24)/t 9-,10+,11+,13+/m1/s1; KDAWOPKDXRJNHV-BLFANLJRSA-N |
O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2 ccccc2)N; CC1(C(NC(S1)C(C(=O)O)NC(=O)C(c 2ccccc2)N)C(=O)O)C; CC1([C@@H](N[C@@H](S 1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N) C(=O)O)C; CC1(C)S[CH](N[CH]1C(O)=O)[CH]( NC(=O)[CH](N)c2ccccc2)C(O)=O; CC1(C)S[C@ H](N[C@H]1C(O)=O)[C@H](NC(=O)[C@H](N)c2c cccc2)C(O)=O |
(2S,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
| 30804 |  OAF |
15 | C4 H4 F2 O6 | InChI=1S/C4H4F2O6/c5-3(6, 1(7)8)4(11,12)2(9)10/h11- 12H,(H,7,8)(H,9,10); PNUBNHHFDUCRFW-UHFFFAOYSA-N |
FC(F)(C(=O)O)C(O)(O)C(=O)O; OC(=O)C(O)(O )C(F)(F)C(O)=O; C(=O)(C(C(C(=O)O)(F)F)(O )O)O |
2,2-difluoro-3,3-dihydroxybutanedioic acid |
| 30805 |  OAG CHEMBL145979 ZINC000005973982 |
3 | C14 H12 Cl2 N6 | InChI=1S/C14H12Cl2N6/c15- 8-1-2-10(16)11(4-8)19-5-7 -3-9-12(17)21-14(18)22-13 (9)20-6-7/h1-4,6,19H,5H2, (H4,17,18,20,21,22); RSPDQFOJWPXTPN-UHFFFAOYSA-N |
c1cc(c(cc1Cl)NCc2cc3c(nc(nc3nc2)N)N)Cl; Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)cnc2n1 |
6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine |
| 30806 |  OAH ZINC000013538980 |
1 | C10 H14 N5 O6 P | InChI=1S/C10H14N5O6P/c11- 9-8-10(13-3-12-9)15(4-14- 8)7-1-5(16)6(21-7)2-20-22 (17,18)19/h3-7,16H,1-2H2, (H2,11,12,13)(H2,17,18,19 )/t5-,6-,7+/m1/s1; KHWCHTKSEGGWEX-QYNIQEEDSA-N |
Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P]( O)(O)=O)O3; Nc1ncnc2n(cnc12)[C@@H]3C[C@@ H](O)[C@@H](CO[P](O)(O)=O)O3; c1nc(c2c(n 1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N; c1nc( c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP( =O)(O)O)O)N; O=P(O)(O)OCC3OC(n2cnc1c(ncn c12)N)CC3O |
9-(2-deoxy-5-O-phosphono-alpha-D-threo-pentofuranosyl)-9H-purin-6-amine |
| 30807 |  OAI CHEMBL342478 DB04001 |
1 | C11 H8 N2 O5 | InChI=1S/C11H8N2O5/c14-9( 11(17)18)13-8-4-7-5(1-2-1 2-7)3-6(8)10(15)16/h1-4,1 2H,(H,13,14)(H,15,16)(H,1 7,18); AHWMERGBWWROMM-UHFFFAOYSA-N |
O=C(O)C(=O)Nc1c(cc2c(c1)ncc2)C(=O)O; c1c [nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O; OC( =O)C(=O)Nc1cc2[nH]ccc2cc1C(O)=O |
6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID |
| 30808 |  OAJ |
3 | C21 H20 N2 O5 | InChI=1S/C21H20N2O5/c1-14 -10-18(7-4-16(14)12-22)28 -17-5-2-15(3-6-17)11-20(2 4)23-8-9-27-13-19(23)21(2 5)26/h2-7,10,19H,8-9,11,1 3H2,1H3,(H,25,26)/t19-/m1 /s1; AJUGJYIFDAVOIF-LJQANCHMSA-N |
Cc1cc(Oc2ccc(CC(=O)N3CCOC[C@@H]3C(O)=O)c c2)ccc1C#N; OC(C1COCCN1C(Cc2ccc(cc2)Oc3c c(C)c(cc3)C#N)=O)=O; Cc1cc(ccc1C#N)Oc2cc c(cc2)CC(=O)N3CCOC[C@@H]3C(=O)O; Cc1cc(O c2ccc(CC(=O)N3CCOC[CH]3C(O)=O)cc2)ccc1C# N; Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC C3C(=O)O |
(3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid |
| 30809 |  OAK CHEMBL131967 ZINC000003833812 |
1 | C13 H17 N O6 | InChI=1S/C13H17NO6/c15-6- 8-9(16)10(17)11(18)13(20- 8)14-12(19)7-4-2-1-3-5-7/ h1-5,8-11,13,15-18H,6H2,( H,14,19)/t8-,9-,10+,11-,1 3-/m1/s1; SPYSOSUFGSNSMY-BZNQNGANSA-N |
O=C(NC1OC(C(O)C(O)C1O)CO)c2ccccc2; c1ccc (cc1)C(=O)NC2C(C(C(C(O2)CO)O)O)O; OC[CH] 1O[CH](NC(=O)c2ccccc2)[CH](O)[CH](O)[CH] 1O; c1ccc(cc1)C(=O)N[C@H]2[C@@H]([C@H]([ C@@H]([C@H](O2)CO)O)O)O; OC[C@H]1O[C@@H] (NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1 O |
N-(phenylcarbonyl)-beta-D-glucopyranosylamine; N-(phenylcarbonyl)-beta-D-glucosylamine; N-(phenylcarbonyl)-D-glucosylamine; N-(phenylcarbonyl)-glucosylamine |
| 30810 |  OAL DB03037 ZINC000006251605 |
1 | C16 H10 O6 | InChI=1S/C16H10O6/c17-10- 3-1-2-8-12(10)16(22)13-9( 15(8)21)5-4-7(14(13)20)6- 11(18)19/h1-5,17,20H,6H2, (H,18,19); IKFRFGXQHSBCQM-UHFFFAOYSA-N |
O=C2c1cccc(O)c1C(=O)c3c2ccc(c3O)CC(=O)O; c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O) C2=O; OC(=O)Cc1ccc2C(=O)c3cccc(O)c3C(=O) c2c1O |
(1,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID; OXIDIZED ACETYL DITHRANOL |
| 30811 |  OAM ZINC000001384160 |
1 | C13 H18 N8 | InChI=1S/C13H18N8/c1-10-1 7-18-13(11-8-16-19(2)12(1 1)14)21(10)6-3-5-20-7-4-1 5-9-20/h4,7-9H,3,5-6,14H2 ,1-2H3; UZDLBPIOOFFHSD-UHFFFAOYSA-N |
n3cc(c1nnc(n1CCCn2ccnc2)C)c(N)n3C; Cn1nc c(c1N)c2nnc(C)n2CCCn3ccnc3; Cc1nnc(n1CCC n2ccnc2)c3cnn(c3N)C |
4-{4-[3-(1H-imidazol-1-yl)propyl]-5-methyl-4H-1,2,4-triazol-3-yl}-1-methyl-1H-pyrazol-5-amine |
| 30812 |  OAN CHEMBL404482 ZINC000038599450 |
30 | C15 H19 N3 O7 | InChI=1S/C15H19N3O7/c1-8( 20)16-11-13(22)12(21)10(7 -19)24-14(11)18-25-15(23) 17-9-5-3-2-4-6-9/h2-6,10- 13,19,21-22H,7H2,1H3,(H,1 6,20)(H,17,23)/b18-14-/t1 0-,11-,12-,13-/m1/s1; PBLNJFVQMUMOJY-JXZOILRNSA-N |
CC(=O)N[C@@H]\1[C@@H](O)[C@H](O)[C@@H](C O)OC\1=N\OC(=O)Nc2ccccc2; CC(=O)NC1C(C(C (OC1=NOC(=O)Nc2ccccc2)CO)O)O; CC(=O)N[C@ @H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2 ccccc2)CO)O)O; CC(=O)N[CH]1[CH](O)[CH](O )[CH](CO)OC1=NOC(=O)Nc2ccccc2; O=C(O\N=C 1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2 |
O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE; PUGNAc |
| 30813 |  OAO |
1 | C18 H17 Cl N4 O3 | InChI=1S/C18H17ClN4O3/c1- 11-3-4-20-9-16(11)22-17(2 4)7-13-5-14(19)8-15(6-13) 25-10-18-21-12(2)23-26-18 /h3-6,8-9H,7,10H2,1-2H3,( H,22,24); ISRHBBIYTNRSMM-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3nc(no3 )C; Cc1noc(COc2cc(Cl)cc(CC(=O)Nc3cnccc3C )c2)n1; Cc1nc(COc2cc(CC(=O)Nc3cnccc3C)cc (Cl)c2)on1 |
2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide |
| 30814 |  OAP CHEMBL1234914 |
6 | C31 H37 N O3 S | InChI=1S/C31H37NO3S/c33-3 0(16-10-2-1-5-11-25-12-6- 3-7-13-25)32-28(19-22-31( 34)35)24-36-29-20-17-27(1 8-21-29)23-26-14-8-4-9-15 -26/h3-4,6-9,12-15,17-18, 20-21,28H,1-2,5,10-11,16, 19,22-24H2,(H,32,33)(H,34 ,35)/t28-/m0/s1; BLFSPSZATDQQMK-NDEPHWFRSA-N |
c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CS c2ccc(cc2)Cc3ccccc3; c1ccc(cc1)CCCCCCC(= O)NC(CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3; OC( =O)CC[CH](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CC CCCCc3ccccc3; OC(=O)CC[C@@H](CSc1ccc(Cc2 ccccc2)cc1)NC(=O)CCCCCCc3ccccc3; O=C(O)C CC(NC(=O)CCCCCCc1ccccc1)CSc2ccc(cc2)Cc3c cccc3 |
4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID |
| 30815 |  OAQ ZINC000000896836 |
9 | C14 H21 N3 O3 | InChI=1S/C14H21N3O3/c1-9( 2)15-7-12-4-3-10-5-11(8-1 8)14(17(19)20)6-13(10)16- 12/h5-6,9,12,15-16,18H,3- 4,7-8H2,1-2H3/t12-/m0/s1; XCGYUJZMCCFSRP-LBPRGKRZSA-N |
CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O- ])CO; [O-][N+](=O)c1c(cc2c(c1)NC(CC2)CNC (C)C)CO; CC(C)NCC1CCc2cc(c(cc2N1)[N+](=O )[O-])CO; CC(C)NC[CH]1CCc2cc(CO)c(cc2N1) [N+]([O-])=O; CC(C)NC[C@@H]1CCc2cc(CO)c( cc2N1)[N+]([O-])=O |
{(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol; Oxamniquine |
| 30816 |  OAR |
0 | C6 H16 N4 O | InChI=1S/C6H16N4O/c7-5(4- 11)2-1-3-10-6(8)9/h5,11H, 1-4,7H2,(H4,8,9,10)/t5-/m 0/s1; UFAABHKZLQFLSG-YFKPBYRVSA-N |
C(CC(CO)N)CNC(=N)N; N[CH](CO)CCCNC(N)=N; [H]/N=C(/N)\NCCC[C@@H](CO)N; [N@H]=C(NC CCC(N)CO)N; N[C@H](CO)CCCNC(N)=N |
N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE |
| 30817 |  OAS CHEMBL1234916 DB01837 ZINC000000895446 |
10 | C5 H9 N O4 | InChI=1S/C5H9NO4/c1-3(7)1 0-2-4(6)5(8)9/h4H,2,6H2,1 H3,(H,8,9)/t4-/m0/s1; VZXPDPZARILFQX-BYPYZUCNSA-N |
CC(=O)OC[C@@H](C(=O)O)N; CC(=O)OC[CH](N) C(O)=O; CC(=O)OC[C@H](N)C(O)=O; O=C(OCC( N)C(=O)O)C; CC(=O)OCC(C(=O)O)N |
O-ACETYLSERINE |
| 30818 |  OAT |
6 | C25 H21 N O10 S2 | InChI=1S/C25H21NO10S2/c27 -20-8-3-16(11-23(20)30)26 (38(35,36)19-7-10-22(29)2 5(32)13-19)14-15-1-4-17(5 -2-15)37(33,34)18-6-9-21( 28)24(31)12-18/h1-13,27-3 2H,14H2; IMBHNAVYXWHQLJ-UHFFFAOYSA-N |
c1cc(ccc1CN(c2ccc(c(c2)O)O)S(=O)(=O)c3cc c(c(c3)O)O)S(=O)(=O)c4ccc(c(c4)O)O; Oc1c cc(cc1O)N(Cc2ccc(cc2)[S](=O)(=O)c3ccc(O) c(O)c3)[S](=O)(=O)c4ccc(O)c(O)c4; Oc1ccc (cc1O)S(=O)(=O)N(Cc1ccc(cc1)S(=O)(=O)c1c c(O)c(O)cc1)c1ccc(O)c(O)c1 |
N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide |
| 30819 |  OAU |
4 | C21 H24 N2 | InChI=1S/C21H24N2/c1-6-21 (4)12-11-15(14(2)3)19(20( 21)22-5)17-13-23-18-10-8- 7-9-16(17)18/h6-10,13,15, 19-20,23H,1-2,11-12H2,3-4 H3/t15-,19+,20-,21-/m1/s1; KGWATBYKCMCFLC-CGRMTHRGSA-N |
CC(=C)[C@H]1CC[C@@]([C@@H]([C@@H]1c2c[nH ]c3c2cccc3)[N+]#[C-])(C)C=C; CC(=C)[C@H] 1CC[C@@](C)(C=C)[C@H]([N+]#[C-])[C@@H]1c 2c[nH]c3ccccc23; CC(=C)C1CCC(C(C1c2c[nH] c3c2cccc3)[N+]#[C-])(C)C=C; CC(=C)[CH]1C C[C](C)(C=C)[CH]([N+]#[C-])[CH]1c2c[nH]c 3ccccc23 |
3-[(1~{S},2~{R},3~{S},6~{S})-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1~{H}-indole; 12-epi-hapalindole C isoniltrile; 3-[(1R,2S,3R,6R)-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole |
| 30820 |  OAV CHEMBL4635874 |
2 | C23 H24 N4 O2 | InChI=1S/C23H24N4O2/c1-3- 26(13-14-27-12-4-11-25-27 )23(28)16-19-5-8-21(9-6-1 9)29-22-10-7-20(17-24)18( 2)15-22/h4-12,15H,3,13-14 ,16H2,1-2H3; ABKHTUJKHPJZLS-UHFFFAOYSA-N |
CCN(CCn1cccn1)C(=O)Cc2ccc(Oc3ccc(C#N)c(C )c3)cc2; CCN(CCn1cccn1)C(=O)Cc2ccc(cc2)O c3ccc(c(c3)C)C#N; c3(cc(Oc2ccc(CC(N(CC)C Cn1cccn1)=O)cc2)ccc3C#N)C |
2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide |
| 30821 |  OAW CHEMBL1234917 ZINC000058638466 |
1 | C13 H15 N7 O | InChI=1S/C13H15N7O/c1-6(2 )20-11-9(7(3)17-13(14)19- 11)18-10(12(20)21)8-4-15- 16-5-8/h4-6H,1-3H3,(H,15, 16)(H2,14,17,19); YIFGKPFEGAUADP-UHFFFAOYSA-N |
Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C (C)C; CC(C)N1C(=O)C(=Nc2c(C)nc(N)nc12)c3 c[nH]nc3; O=C2C(=Nc1c(nc(nc1C)N)N2C(C)C) c3cnnc3 |
2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one |
| 30822 |  OAX |
2 | C13 H15 Cl N2 O2 | InChI=1S/C13H15ClN2O2/c14 -12-5-3-11(4-6-12)13(18)1 5-8-16(9-17)7-10-1-2-10/h 3-6,9-10H,1-2,7-8H2,(H,15 ,18); ZKBKHQJPIDEDKI-UHFFFAOYSA-N |
Clc1ccc(cc1)C(=O)NCN(CC2CC2)C=O; c1cc(cc c1C(=O)NCN(CC2CC2)C=O)Cl |
4-chloranyl-N-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide |
| 30823 |  OAY |
1 | C22 H24 N4 O4 | InChI=1S/C22H24N4O4/c1-11 -14(19(27)17-18(13-6-7-13 )23-25(3)20(17)28)8-9-15- 16(11)21(29)26(10-12-4-5- 12)22(30)24(15)2/h8-9,12- 13,23H,4-7,10H2,1-3H3; WZQUIHCGANDDPY-UHFFFAOYSA-N |
CN1NC(=C(C1=O)C(=O)c2ccc3N(C)C(=O)N(CC4C C4)C(=O)c3c2C)C5CC5; Cc1c(ccc2c1C(=O)N(C (=O)N2C)CC3CC3)C(=O)C4=C(NN(C4=O)C)C5CC5 |
3-(cyclopropylmethyl)-6-[(5-cyclopropyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione |
| 30824 |  OAZ |
1 | C8 H7 N3 O2 | InChI=1S/C8H7N3O3/c9-11-1 0-7-4-2-1-3-6(7)5-14-8(12 )13/h1-4H,5H2,(H,12,13); YHJYQHHCLBKKKY-UHFFFAOYSA-N |
c1ccc(c(c1)COC(=O)O)N=[N+]=[N-]; OC(=O)O Cc1ccccc1N=[N+]=[N-]; C(=O)(O)OCc1c(cccc 1)N=[N+]=[N-] |
(2-azidophenyl)methyl hydrogen carbonate |
| 30825 |  OB0 |
8 | C16 H19 N3 O6 S2 | InChI=1S/C16H19N3O6S2/c17 -12-1-3-13(4-2-12)26(22,2 3)18-7-9-19(10-8-18)27(24 ,25)14-5-6-15(20)16(21)11 -14/h1-6,11,20-21H,7-10,1 7H2; AWUAPCWPGNYJRR-UHFFFAOYSA-N |
Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)[S](=O)( =O)c3ccc(O)c(O)c3; c1cc(ccc1N)S(=O)(=O)N 2CCN(CC2)S(=O)(=O)c3ccc(c(c3)O)O; O=S(=O )(c1cc(O)c(O)cc1)N1CCN(CC1)S(=O)(=O)c1cc c(N)cc1 |
4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol |
| 30826 |  OB1 ZINC000217097601 |
2 | C24 H21 N O5 S | InChI=1S/C24H21NO5S/c26-1 8-10-6-15(7-11-18)22-20-1 4-21(31(28,29)25-17-4-2-1 -3-5-17)24(30-20)23(22)16 -8-12-19(27)13-9-16/h1-13 ,20-21,24-27H,14H2/t20-,2 1+,24+/m0/s1; HRIRAPQMJVLREA-YZUZCNPQSA-N |
Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O) (=O)Nc4ccccc4)c5ccc(O)cc5; Oc1ccc(cc1)C2 =C([C@@H]3O[C@H]2C[C@H]3[S](=O)(=O)Nc4cc ccc4)c5ccc(O)cc5; c1ccc(cc1)NS(=O)(=O)[C @@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c 5ccc(cc5)O; c1c(O)ccc(c1)C3=C(c2ccc(O)cc 2)C4OC3C(C4)S(Nc5ccccc5)(=O)=O; c1ccc(cc 1)NS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c 5ccc(cc5)O |
(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 30827 |  OB2 ZINC000584905636 |
2 | C25 H23 N O5 S | InChI=1S/C25H23NO5S/c1-26 (18-5-3-2-4-6-18)32(29,30 )22-15-21-23(16-7-11-19(2 7)12-8-16)24(25(22)31-21) 17-9-13-20(28)14-10-17/h2 -14,21-22,25,27-28H,15H2, 1H3/t21-,22+,25+/m0/s1; HSQGBJYGRBCENH-SGIRGMQISA-N |
CN(c1ccccc1)S(=O)(=O)C2CC3C(=C(C2O3)c4cc c(cc4)O)c5ccc(cc5)O; CN(c1ccccc1)[S](=O) (=O)[C@@H]2C[C@@H]3O[C@H]2C(=C3c4ccc(O)c c4)c5ccc(O)cc5; CN(c1ccccc1)[S](=O)(=O)[ CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O )cc5; CN(c1ccccc1)S(=O)(=O)[C@@H]2C[C@H] 3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O; c1c(ccc(c1)O)C2=C(C3C(CC2O3)S(=O)(N(c4c cccc4)C)=O)c5ccc(O)cc5 |
(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 30828 |  OB3 ZINC000584905643 |
3 | C25 H22 Cl N O5 S | InChI=1S/C25H22ClNO5S/c1- 27(20-5-3-2-4-19(20)26)33 (30,31)22-14-21-23(15-6-1 0-17(28)11-7-15)24(25(22) 32-21)16-8-12-18(29)13-9- 16/h2-13,21-22,25,28-29H, 14H2,1H3/t21-,22+,25+/m0/ s1; UOCUJSGNIGCJMB-SGIRGMQISA-N |
c1cc(ccc1O)C2=C(C3CC(C2O3)S(=O)(N(C)c4c( Cl)cccc4)=O)c5ccc(cc5)O; CN(c1ccccc1Cl)S (=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4c cc(cc4)O)c5ccc(cc5)O; CN(c1ccccc1Cl)S(=O )(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc 5)O; CN(c1ccccc1Cl)[S](=O)(=O)[C@@H]2C[C @@H]3O[C@H]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5 ; CN(c1ccccc1Cl)[S](=O)(=O)[CH]2C[CH]3O[ CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5 |
(1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 30829 |  OB4 ZINC000584905633 |
1 | C27 H27 N O6 S | InChI=1S/C27H27NO6S/c1-3- 28(19-8-14-22(33-2)15-9-1 9)35(31,32)24-16-23-25(17 -4-10-20(29)11-5-17)26(27 (24)34-23)18-6-12-21(30)1 3-7-18/h4-15,23-24,27,29- 30H,3,16H2,1-2H3/t23-,24+ ,27+/m0/s1; DGXXRQNAGODTPD-CLCZQPDDSA-N |
CCN(c1ccc(OC)cc1)[S](=O)(=O)[CH]2C[CH]3O [CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5; CCN(c 1ccc(cc1)OC)S(=O)(=O)[C@@H]2C[C@H]3C(=C( [C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O; c1c(c cc(c1)C3=C(c2ccc(O)cc2)C4OC3C(C4)S(=O)(N (c5ccc(OC)cc5)CC)=O)O; CCN(c1ccc(cc1)OC) S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5cc c(cc5)O; CCN(c1ccc(OC)cc1)[S](=O)(=O)[C@ @H]2C[C@@H]3O[C@H]2C(=C3c4ccc(O)cc4)c5cc c(O)cc5 |
(1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 30830 |  OB5 ZINC000205575595 |
1 | C27 H27 N O6 S | InChI=1S/C27H27NO6S/c1-3- 28(19-8-14-22(33-2)15-9-1 9)35(31,32)24-16-23-25(17 -4-10-20(29)11-5-17)26(27 (24)34-23)18-6-12-21(30)1 3-7-18/h4-15,23-24,27,29- 30H,3,16H2,1-2H3/t23-,24+ ,27+/m1/s1; DGXXRQNAGODTPD-DXBVXKBHSA-N |
CCN(c1ccc(OC)cc1)[S](=O)(=O)[CH]2C[CH]3O [CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5; CCN(c 1ccc(cc1)OC)S(=O)(=O)[C@H]2C[C@@H]3C(=C( [C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O; CCN(c1 ccc(OC)cc1)[S](=O)(=O)[C@H]2C[C@H]3O[C@@ H]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5; c5c(ccc (C=1C3CC(C(C=1c2ccc(cc2)O)O3)S(=O)(N(c4c cc(cc4)OC)CC)=O)c5)O; CCN(c1ccc(cc1)OC)S (=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc (cc5)O |
(1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 30831 |  OB6 ZINC000584905640 |
1 | C26 H24 Cl N O5 S | InChI=1S/C26H24ClNO5S/c1- 2-28(19-9-7-18(27)8-10-19 )34(31,32)23-15-22-24(16- 3-11-20(29)12-4-16)25(26( 23)33-22)17-5-13-21(30)14 -6-17/h3-14,22-23,26,29-3 0H,2,15H2,1H3/t22-,23+,26 +/m0/s1; NQOVQKVPQWLWNF-PPJWLVRDSA-N |
CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@@H]2C[C@H]3 C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O; CCN(c1ccc(Cl)cc1)[S](=O)(=O)[CH]2C[CH]3O [CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5; c1(cc c(cc1)C=2C4CC(C(C=2c3ccc(cc3)O)O4)S(=O)( N(c5ccc(cc5)Cl)CC)=O)O; CCN(c1ccc(cc1)Cl )S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5c cc(cc5)O; CCN(c1ccc(Cl)cc1)[S](=O)(=O)[C @@H]2C[C@@H]3O[C@H]2C(=C3c4ccc(O)cc4)c5c cc(O)cc5 |
(1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 30832 |  OB7 ZINC000205575637 |
1 | C26 H24 Cl N O5 S | InChI=1S/C26H24ClNO5S/c1- 2-28(19-9-7-18(27)8-10-19 )34(31,32)23-15-22-24(16- 3-11-20(29)12-4-16)25(26( 23)33-22)17-5-13-21(30)14 -6-17/h3-14,22-23,26,29-3 0H,2,15H2,1H3/t22-,23+,26 +/m1/s1; NQOVQKVPQWLWNF-UMFSSWHCSA-N |
c1(O)ccc(cc1)C3=C(c2ccc(cc2)O)C4OC3C(C4) S(=O)(N(CC)c5ccc(cc5)Cl)=O; CCN(c1ccc(cc 1)Cl)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O 3)c4ccc(cc4)O)c5ccc(cc5)O; CCN(c1ccc(Cl) cc1)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4c cc(O)cc4)c5ccc(O)cc5; CCN(c1ccc(cc1)Cl)S (=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc (cc5)O; CCN(c1ccc(Cl)cc1)[S](=O)(=O)[C@H ]2C[C@H]3O[C@@H]2C(=C3c4ccc(O)cc4)c5ccc( O)cc5 |
(1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 30833 |  OB8 ZINC000584905641 |
2 | C30 H27 N O5 S | InChI=1S/C30H27NO5S/c1-2- 31(23-12-7-19-5-3-4-6-22( 19)17-23)37(34,35)27-18-2 6-28(20-8-13-24(32)14-9-2 0)29(30(27)36-26)21-10-15 -25(33)16-11-21/h3-17,26- 27,30,32-33H,2,18H2,1H3/t 26-,27+,30+/m0/s1; NWFALEHEZQFOMU-PVTPYKNESA-N |
CCN(c1ccc2ccccc2c1)S(=O)(=O)C3CC4C(=C(C3 O4)c5ccc(cc5)O)c6ccc(cc6)O; CCN(c1ccc2cc ccc2c1)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H ]3O4)c5ccc(cc5)O)c6ccc(cc6)O; c1c(O)ccc( c1)C3=C(c2ccc(O)cc2)C4CC(C3O4)S(=O)(N(CC )c5ccc6c(c5)cccc6)=O; CCN(c1ccc2ccccc2c1 )[S](=O)(=O)[CH]3C[CH]4O[CH]3C(=C4c5ccc( O)cc5)c6ccc(O)cc6; CCN(c1ccc2ccccc2c1)[S ](=O)(=O)[C@@H]3C[C@@H]4O[C@H]3C(=C4c5cc c(O)cc5)c6ccc(O)cc6 |
(1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 30834 |  OB9 ZINC000584905637 |
3 | C26 H22 F3 N O5 S | InChI=1S/C26H22F3NO5S/c27 -26(28,29)15-30(18-4-2-1- 3-5-18)36(33,34)22-14-21- 23(16-6-10-19(31)11-7-16) 24(25(22)35-21)17-8-12-20 (32)13-9-17/h1-13,21-22,2 5,31-32H,14-15H2/t21-,22+ ,25+/m0/s1; IKDGMHLBCBZLCS-SGIRGMQISA-N |
c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[ C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc 5)O; Oc1ccc(cc1)C2=C([C@@H]3O[C@H]2C[C@H ]3[S](=O)(=O)N(CC(F)(F)F)c4ccccc4)c5ccc( O)cc5; c1c(O)ccc(c1)C3=C(c2ccc(cc2)O)C4C C(C3O4)S(N(CC(F)(F)F)c5ccccc5)(=O)=O; c1 ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C2CC3C(=C(C 2O3)c4ccc(cc4)O)c5ccc(cc5)O; Oc1ccc(cc1) C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)N(CC(F) (F)F)c4ccccc4)c5ccc(O)cc5 |
(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 30835 |  OBA CHEMBL139050 DB02622 ZINC000002007905 |
1 | C9 H7 N O5 | InChI=1S/C9H7NO5/c11-7(9( 14)15)10-6-4-2-1-3-5(6)8( 12)13/h1-4H,(H,10,11)(H,1 2,13)(H,14,15); QBYNNSFEMMNINN-UHFFFAOYSA-N |
O=C(Nc1ccccc1C(=O)O)C(=O)O; c1ccc(c(c1)C (=O)O)NC(=O)C(=O)O; OC(=O)C(=O)Nc1ccccc1 C(O)=O |
2-(OXALYL-AMINO)-BENZOIC ACID |
| 30836 |  OBB ZINC000584905646 |
2 | C24 H19 Br O6 S | InChI=1S/C24H19BrO6S/c25- 16-2-1-3-19(12-16)31-32(2 8,29)21-13-20-22(14-4-8-1 7(26)9-5-14)23(24(21)30-2 0)15-6-10-18(27)11-7-15/h 1-12,20-21,24,26-27H,13H2 /t20-,21+,24+/m0/s1; YUEGTSPCXKRDJQ-YZUZCNPQSA-N |
c1cc(cc(c1)Br)OS(=O)(=O)C2CC3C(=C(C2O3)c 4ccc(cc4)O)c5ccc(cc5)O; Oc1ccc(cc1)C2=C( [CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4cccc(Br)c 4)c5ccc(O)cc5; c1(O)ccc(cc1)C3=C(c2ccc(O )cc2)C4OC3CC4S(=O)(Oc5cccc(c5)Br)=O; c1c c(cc(c1)Br)OS(=O)(=O)[C@@H]2C[C@H]3C(=C( [C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O; Oc1cc c(cc1)C2=C([C@@H]3O[C@H]2C[C@H]3[S](=O)( =O)Oc4cccc(Br)c4)c5ccc(O)cc5 |
3-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
| 30837 |  OBC ZINC000584905645 |
3 | C24 H19 F O6 S | InChI=1S/C24H19FO6S/c25-1 8-3-1-2-4-19(18)31-32(28, 29)21-13-20-22(14-5-9-16( 26)10-6-14)23(24(21)30-20 )15-7-11-17(27)12-8-15/h1 -12,20-21,24,26-27H,13H2/ t20-,21+,24+/m0/s1; XRYOAXYWMLONJO-YZUZCNPQSA-N |
c1ccc(c(c1)OS(=O)(=O)C2CC3C(=C(C2O3)c4cc c(cc4)O)c5ccc(cc5)O)F; Oc1ccc(cc1)C2=C([ CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccccc4F)c5 ccc(O)cc5; O=S(=O)(Oc1ccccc1F)C2CC5OC2C( c3ccc(O)cc3)=C5c4ccc(O)cc4; c1ccc(c(c1)O S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4 ccc(cc4)O)c5ccc(cc5)O)F; Oc1ccc(cc1)C2=C ([C@@H]3O[C@H]2C[C@H]3[S](=O)(=O)Oc4cccc c4F)c5ccc(O)cc5 |
2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
| 30838 |  OBD ZINC000098209259 |
0 | C25 H23 N5 O3 | InChI=1S/C25H23N5O3/c1-17 -6-9-20(10-7-17)25(32)26- 15-22-16-30(29-27-22)23(1 4-24(31)28-33)13-18-8-11- 19-4-2-3-5-21(19)12-18/h2 -12,16,23H,13-15H2,1H3,(H ,26,32)/t23-/m0/s1; BKDSTKVFPHOHHU-QHCPKHFHSA-N |
O=C(N=O)CC(n1nnc(c1)CNC(=O)c2ccc(cc2)C)C c4cc3ccccc3cc4; Cc1ccc(cc1)C(=O)NCc2cn(n n2)[CH](CC(=O)N=O)Cc3ccc4ccccc4c3; Cc1cc c(cc1)C(=O)NCc2cn(nn2)[C@H](CC(=O)N=O)Cc 3ccc4ccccc4c3; Cc1ccc(cc1)C(=O)NCc2cn(nn 2)C(Cc3ccc4ccccc4c3)CC(=O)N=O; Cc1ccc(cc 1)C(=O)NCc2cn(nn2)[C@@H](Cc3ccc4ccccc4c3 )CC(=O)N=O |
4-methyl-N-({1-[(2S)-1-(naphthalen-2-yl)-4-nitroso-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide |
| 30839 |  OBE ZINC000006481301 |
2 | C16 H19 N O5 | InChI=1S/C16H19NO5/c1-17- 10-5-6-12(17)14(15(19)20) 13(8-10)22-16(21)9-3-2-4- 11(18)7-9/h2-4,7,10,12-14 ,18H,5-6,8H2,1H3,(H,19,20 )/t10-,12+,13-,14+/m0/s1; XCJJCRPRQYXLRE-AHLTXXRQSA-N |
C[N@H+]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC (=O)c3cccc(c3)O)C(=O)[O-]; C[NH+]1[CH]2C C[CH]1[CH]([CH](C2)OC(=O)c3cccc(O)c3)C([ O-])=O; C[NH+]1C2CCC1C(C(C2)OC(=O)c3cccc (c3)O)C(=O)[O-]; [O-]C(=O)C3C1[NH+](C)C( CC1)CC3OC(=O)c2cccc(O)c2; C[NH+]1[C@H]2C C[C@@H]1[C@H]([C@H](C2)OC(=O)c3cccc(O)c3 )C([O-])=O |
3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID; META-OXYBENZOYLECGONINE |
| 30840 |  OBF ZINC000037756049 |
0 | C4 H7 F2 N O2 | InChI=1S/C4H7F2NO2/c5-3(6 )1-2(7)4(8)9/h2-3H,1,7H2, (H,8,9)/t2-/m0/s1; VIUCNIMDPZQXAD-REOHCLBHSA-N |
C([C@@H](C(=O)O)N)C(F)F; FC(F)CC(N)C(=O) O; N[C@@H](CC(F)F)C(O)=O; C(C(C(=O)O)N)C (F)F; N[CH](CC(F)F)C(O)=O |
(2S)-2-amino-4,4-difluorobutanoic acid |
| 30841 |  OBG CHEMBL407874 DB11919 ZINC000005425464 |
1 | C12 H11 N5 O | InChI=1S/C12H11N5O/c13-12 -16-10-9(14-7-15-10)11(17 -12)18-6-8-4-2-1-3-5-8/h1 -5,7H,6H2,(H3,13,14,15,16 ,17); KRWMERLEINMZFT-UHFFFAOYSA-N |
Nc1nc2[nH]cnc2c(OCc3ccccc3)n1; c1ccc(cc1 )COc2c3c([nH]cn3)nc(n2)N |
6-(benzyloxy)-9H-purin-2-amine; o6-benzylguanine |
| 30842 |  OBH ZINC000263620265 |
4 | C24 H22 O6 S | InChI=1S/C24H22O6S/c25-17 -10-6-15(7-11-17)22-20-14 -21(31(27,28)30-19-4-2-1- 3-5-19)24(29-20)23(22)16- 8-12-18(26)13-9-16/h2-13, 19-21,24-26H,1,14H2/t20-, 21+,24+/m0/s1; BDNHEHZCMDJALX-YZUZCNPQSA-N |
Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O) (=O)OC4C=CCC=C4)c5ccc(O)cc5; c1cc(ccc1C2 =C(C3C(CC2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc( cc5)O)O; c1cc(ccc1C2=C([C@H]3[C@@H](C[C@ @H]2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O) O; c1cc(O)ccc1C3=C(c2ccc(O)cc2)C4OC3CC4S (=O)(=O)OC5C=CCC=C5; Oc1ccc(cc1)C2=C([C@ @H]3O[C@H]2C[C@H]3[S](=O)(=O)OC4C=CCC=C4 )c5ccc(O)cc5 |
cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
| 30843 |  OBI CHEMBL451635 DB13750 ZINC000011681703 |
2 | C14 H16 N4 O3 | InChI=1S/C14H14N4O3/c19-1 5-9-13-1-5-17(6-2-13)11-2 1-12-18-7-3-14(4-8-18)10- 16-20/h1-10H,11-12H2/p+2; HIGRLDNHDGYWQJ-UHFFFAOYSA-P |
c1c[n+](ccc1C=NO)COC[n+]2ccc(cc2)C=NO; c 1c[n+](ccc1\C=N\O)COC[n+]2ccc(cc2)\C=N\O ; ON=Cc1cc[n+](COC[n+]2ccc(cc2)C=NO)cc1; O\N=C\c1cc[n+](COC[n+]2ccc(cc2)\C=N\O)c c1; O\N=C\c1cc[n+](cc1)COC[n+]2ccc(\C=N\ O)cc2 |
1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME |
| 30844 |  OBJ |
1 | C10 H11 Cl2 N O2 S | InChI=1S/C10H11Cl2NO2S/c1 1-8-2-1-7(5-9(8)12)15-6-1 0(14)13-3-4-16/h1-2,5,16H ,3-4,6H2,(H,13,14); DCPNTZSINCTHRC-UHFFFAOYSA-N |
SCCNC(=O)COc1ccc(Cl)c(Cl)c1; C(CNC(=O)CO c1cc(c(cc1)Cl)Cl)S; c1cc(c(cc1OCC(=O)NCC S)Cl)Cl |
2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide |
| 30845 |  OBK |
6 | C9 H16 O4 | InChI=1S/C9H16O4/c1-2-13- 9(12)7-5-3-4-6-8(10)11/h2 -7H2,1H3,(H,10,11); NQYXFXWKKYGBNL-UHFFFAOYSA-N |
CCOC(=O)CCCCCC(=O)O; CCOC(=O)CCCCCC(O)=O | 7-ethoxy-7-oxidanylidene-heptanoic acid; pimelic acid monoethyl ester |
| 30846 |  OBL |
4 | C60 H85 Co N13 O15 P | InChI=1S/C60H86N13O15P.Co /c1-29-48-33(12-16-42(62) 76)56(3,4)40(70-48)24-36- 32(11-15-41(61)75)58(6,25 -45(65)79)53(69-36)30(2)4 9-34(13-17-43(63)77)59(7, 26-46(66)80)60(8,72-49)54 -35(23-44(64)78)57(5,52(2 9)71-54)19-18-47(81)67-20 -21-86-89(83,84)88-51-39( 27-74)87-55(50(51)82)73-2 8-68-37-22-31(85-9)10-14- 38(37)73;/h10,14,22,24,28 ,32-35,39,50-51,54-55,74, 82H,11-13,15-21,23,25-27H 2,1-9H3,(H15,61,62,63,64, 65,66,67,69,70,71,72,75,7 6,77,78,79,80,81,83,84);/ q;+4/p-1/t32-,33-,34-,35+ ,39-,50-,51-,54-,55+,57-, 58+,59+,60+;/m1./s1; JRWPLQQCQBEBIM-VOTWPXDDSA-M |
COc1ccc2n(cnc2c1)[C@H]3O[C@H](CO)[C@@H]( O[P](O)(=O)OCCNC(=O)CC[C@]4(C)[C@@H](CC( N)=O)[C@H]5[N@@+]6=C4C(=C7[C@@H](CCC(N)= O)C(C)(C)C8=[N@+]7[Co]69[N@@]%10C(=C(C)C %11=[N@+]9C(=C8)[C@@H](CCC(N)=O)[C@]%11( C)CC(N)=O)[C@@H](CCC(N)=O)[C@](C)(CC(N)= O)[C@]5%10C)C)[C@H]3O; CC1=C2C(C(C3(N2[C o]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1C(C 8CCC(=O)N)(C)CC(=O)N)C(C7CCC(=O)N)(C)C)C )C(C(C36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O C9C(OC(C9O)n1cnc2c1ccc(c2)OC)CO)C)(C)CC( =O)N)CCC(=O)N; CC1=C2[C@H]([C@]([C@]3(N2 [Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[ C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H] 7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(= O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H]( O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO)C) (C)CC(=O)N)CCC(=O)N; COc1ccc2n(cnc2c1)[C H]3O[CH](CO)[CH](O[P](O)(=O)OCCNC(=O)CC[ C]4(C)[CH](CC(N)=O)[CH]5[N+]6=C4C(=C7[CH ](CCC(N)=O)C(C)(C)C8=[N+]7[Co]69[N]%10C( =C(C)C%11=[N+]9C(=C8)[CH](CCC(N)=O)[C]%1 1(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O )[C]5%10C)C)[CH]3O |
5-Methoxybenzimidazolyl-norcobamide |
| 30847 |  OBM ZINC000584905632 |
2 | C24 H19 Br O6 S | InChI=1S/C24H19BrO6S/c25- 16-5-11-19(12-6-16)31-32( 28,29)21-13-20-22(14-1-7- 17(26)8-2-14)23(24(21)30- 20)15-3-9-18(27)10-4-15/h 1-12,20-21,24,26-27H,13H2 /t20-,21+,24+/m0/s1; CUIVJALDVYFMBH-YZUZCNPQSA-N |
c1(ccc(cc1)C2=C(C3C(CC2O3)S(Oc4ccc(cc4)B r)(=O)=O)c5ccc(cc5)O)O; c1cc(ccc1C2=C([C @H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc 4)Br)c5ccc(cc5)O)O; Oc1ccc(cc1)C2=C([CH] 3O[CH]2C[CH]3[S](=O)(=O)Oc4ccc(Br)cc4)c5 ccc(O)cc5; Oc1ccc(cc1)C2=C([C@@H]3O[C@H] 2C[C@H]3[S](=O)(=O)Oc4ccc(Br)cc4)c5ccc(O )cc5; c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)O c4ccc(cc4)Br)c5ccc(cc5)O)O |
4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
| 30848 |  OBN CHEMBL222863 DB01092 ZINC000008143614 |
14 | C29 H44 O12 | InChI=1S/C29H44O12/c1-13- 22(34)23(35)24(36)25(40-1 3)41-15-8-19(32)28(12-30) 21-17(3-5-27(28,37)9-15)2 9(38)6-4-16(14-7-20(33)39 -11-14)26(29,2)10-18(21)3 1/h7,13,15-19,21-25,30-32 ,34-38H,3-6,8-12H2,1-2H3/ t13-,15-,16+,17+,18+,19+, 21+,22-,23+,24+,25-,26+,2 7-,28+,29-/m0/s1; LPMXVESGRSUGHW-HBYQJFLCSA-N |
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@ H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3( C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6= CC(=O)OC6)O)CO)O)O)O)O; O=C1OCC(=C1)C4CC C5(O)C3CCC6(O)CC(OC2OC(C(O)C(O)C2O)C)CC( O)C6(CO)C3C(O)CC45C; C[C@@H]1O[C@@H](O[C @H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C @]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C 2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O; CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5( CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O; C[CH]1O[CH](O[CH]2C[CH](O)[C]3(CO)[CH]4 [CH](O)C[C]5(C)[CH](CC[C]5(O)[CH]4CC[C]3 (O)C2)C6=CC(=O)OC6)[CH](O)[CH](O)[CH]1O |
OUABAIN |
| 30849 |  OBO |
1 | C14 H11 Cl N4 O | InChI=1S/C14H11ClN4O/c15- 10-3-1-2-9(4-10)5-13(20)1 9-12-7-16-6-11-14(12)18-8 -17-11/h1-4,6-8H,5H2,(H,1 7,18)(H,19,20); NXBRVTFHRPPFLN-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2[nH]cn3; C lc1cccc(CC(=O)Nc2cncc3nc[nH]c23)c1; Clc1 cccc(c1)CC(=O)Nc1cncc2nc[NH]c12 |
2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide |
| 30850 |  OBP DB08319 |
2 | C12 H10 O3 S | InChI=1S/C12H10O3S/c13-11 -7-3-1-5-9(11)10-6-2-4-8- 12(10)16(14)15/h1-8,13H,( H,14,15); HPKSNFTYZHYEKV-UHFFFAOYSA-N |
c1ccc(c(c1)c2ccccc2[S@@](=O)O)O; Oc1cccc c1c2ccccc2[S](O)=O; c1ccc(c(c1)c2ccccc2S (=O)O)O; O=S(O)c2c(c1ccccc1O)cccc2 |
2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID; 2'-HYDROXYBIPHENYL-2-SULFINIC ACID |
| 30851 |  OBQ CHEMBL376130 ZINC000013675153 |
2 | C21 H22 N2 O6 | InChI=1S/C21H22N2O6/c1-23 -7-6-10-8-13-19(28-9-27-1 3)20(26-3)14(10)17(23)18- 11-4-5-12(25-2)16(22)15(1 1)21(24)29-18/h4-5,8,17-1 8H,6-7,9,22H2,1-3H3/t17-, 18+/m1/s1; WPUKOXIOPURGHT-MSOLQXFVSA-N |
COc1ccc2[CH](OC(=O)c2c1N)[CH]3N(C)CCc4cc 5OCOc5c(OC)c34; CN1CCc2cc3c(c(c2[C@@H]1[ C@@H]4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3; CO c1ccc2[C@H](OC(=O)c2c1N)[C@@H]3N(C)CCc4c c5OCOc5c(OC)c34; CN1CCc2cc3c(c(c2C1C4c5c cc(c(c5C(=O)O4)N)OC)OC)OCO3 |
(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one |
| 30852 |  OBR ZINC000199130622 |
2 | C13 H11 F5 N4 S | InChI=1S/C13H11F5N4S/c1-9 -8-12(22-7-6-19-13(22)20- 9)21-10-2-4-11(5-3-10)23( 14,15,16,17)18/h2-8,21H,1 H3; WQQKDMYAYLYJLV-UHFFFAOYSA-N |
FS(F)(F)(F)(F)c1ccc(cc1)Nc1cc(C)nc2nccn1 2; Cc1cc(Nc2ccc(cc2)[S](F)(F)(F)(F)F)n3c cnc3n1; Cc1cc(n2ccnc2n1)Nc3ccc(cc3)S(F)( F)(F)(F)F |
(4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine |
| 30853 |  OBS |
0 | C16 H26 N2 O7 S | InChI=1S/C16H26N2O7S/c17- 12(16(23)24)3-1-2-6-18-13 -9-26(25)8-10(4-5-14(19)2 0)11(13)7-15(21)22/h10-12 H,1-9,17H2,(H,19,20)(H,21 ,22)(H,23,24)/b18-13-/t10 -,11-,12+,26+/m1/s1; OXEYOJPDXMYXIZ-KYPNPPHMSA-N |
C1C(C(C(=NCCCCC(C(=O)O)N)CS1=O)CC(=O)O)C CC(=O)O; O=S1C/C(=N/CCCCC(C(=O)O)N)C(C(C CC(=O)O)C1)CC(=O)O; C1[C@H]([C@H](/C(=N\ CCCC[C@@H](C(=O)O)N)/C[S@]1=O)CC(=O)O)CC C(=O)O; N[CH](CCCCN=C1C[S](=O)C[CH](CCC( O)=O)[CH]1CC(O)=O)C(O)=O; N[C@@H](CCCCN= C1C[S@@](=O)C[C@@H](CCC(O)=O)[C@H]1CC(O) =O)C(O)=O |
(Z)-N^6-[(4S,5R)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)-1-HYDROXYDIHYDRO-2H-THIOPYRANIUM-3(4H)-YLIDENE]-L-LYSINE; 2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-1-OXO-TETRAHYDRO-1LAMBDA4-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID |
| 30854 |  OBT ZINC000217108206 |
6 | C26 H21 Cl F3 N O5 S | InChI=1S/C26H21ClF3NO5S/c 27-17-5-7-18(8-6-17)31(14 -26(28,29)30)37(34,35)22- 13-21-23(15-1-9-19(32)10- 2-15)24(25(22)36-21)16-3- 11-20(33)12-4-16/h1-12,21 -22,25,32-33H,13-14H2/t21 -,22+,25+/m0/s1; IMJVXTIQVJFSBH-SGIRGMQISA-N |
c1c(O)ccc(c1)C3=C(c2ccc(cc2)O)C4CC(C3O4) S(N(CC(F)(F)F)c5ccc(cc5)Cl)(=O)=O; Oc1cc c(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)N (CC(F)(F)F)c4ccc(Cl)cc4)c5ccc(O)cc5; Oc1 ccc(cc1)C2=C([C@@H]3O[C@H]2C[C@H]3[S](=O )(=O)N(CC(F)(F)F)c4ccc(Cl)cc4)c5ccc(O)cc 5; c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)N(CC (F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O)O; c1cc (ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)( =O)N(CC(F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O) O |
(1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 30855 |  OBV |
4 | C40 H44 Fe N4 O12 | InChI=1S/C40H46N4O12.Fe/c 1-19-21(5-9-33(45)46)27-1 4-28-22(6-10-34(47)48)20( 2)26(42-28)15-31-40(4,18- 38(55)56)24(8-12-36(51)52 )30(44-31)16-32-39(3,17-3 7(53)54)23(7-11-35(49)50) 29(43-32)13-25(19)41-27;/ h13-16,23-24H,5-12,17-18H 2,1-4H3,(H8,41,42,43,44,4 5,46,47,48,49,50,51,52,53 ,54,55,56);/q;+4/p-2/t23- ,24-,39-,40-;/m0./s1; IWKGTOOPBQHBLV-XOLYYWOLSA-L |
Cc1c2cc3[n+]4c(cc5n6c(cc7[n+]8c(cc(c1CCC (=O)O)n2[Fe]648)C(=C7C)CCC(=O)O)C(C5CCC( =O)O)(C)CC(=O)O)C(C3CCC(=O)O)(C)CC(=O)O; Cc1c(CCC(O)=O)c2C=C3C(=C(C)C4=[N+]3[Fe] 56N7C(=CC8=[N+]5C(=Cc1n26)[CH](CCC(O)=O) [C]8(C)CC(O)=O)[CH](CCC(O)=O)[C](C)(CC(O )=O)C7=C4)CCC(O)=O; O=C(O)CCC=1C=6[N+]3= C(C=1C)C=C8N5C(=CC7=[N+]4C(=Cc2c(c(c(n2[ Fe]345)C=6)CCC(=O)O)C)C(CCC(=O)O)C7(C)CC (=O)O)C(CCC(=O)O)C8(C)CC(=O)O; Cc1c2cc3[ n+]4c(cc5n6c(cc7[n+]8c(cc(c1CCC(=O)O)n2[ Fe]648)C(=C7C)CCC(=O)O)[C@@]([C@H]5CCC(= O)O)(C)CC(=O)O)[C@@]([C@H]3CCC(=O)O)(C)C C(=O)O; Cc1c(CCC(O)=O)c2C=C3C(=C(C)C4=[N +]3[Fe]56N7C(=CC8=[N+]5C(=Cc1n26)[C@H](C CC(O)=O)[C@]8(C)CC(O)=O)[C@H](CCC(O)=O)[ C@](C)(CC(O)=O)C7=C4)CCC(O)=O |
12,18-DIDECARBOXY-SIROHEME |
| 30856 |  OBW CHEMBL4752776 |
1 | C16 H10 N2 O2 S3 | InChI=1S/C16H10N2O2S3/c19 -14(20)7-21-16-15-10(17-8 -18-16)6-13(23-15)12-5-9- 3-1-2-4-11(9)22-12/h1-6,8 H,7H2,(H,19,20); BNYXRPMABDQJJR-UHFFFAOYSA-N |
OC(=O)CSc1ncnc2cc(sc12)c3sc4ccccc4c3; c1 ccc2c(c1)cc(s2)c3cc4c(s3)c(ncn4)SCC(=O)O |
2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid |
| 30857 |  OBX |
0 | C14 H27 N7 O7 P | InChI=1S/C14H26N7O7P/c15- 9-3-6-21(14(20-9)19-5-2-1 -4-18-13(16)17)12-11(23)1 0(22)8(28-12)7-27-29(24,2 5)26/h3,6,8,10-12,22-23H, 1-2,4-5,7H2,(H8,15,16,17, 18,19,20,24,25,26)/p+1/t8 -,10-,11-,12-/m1/s1; IIGUQJFGJGKMTR-HJQYOEGKSA-O |
NC(=N)NCCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[ P](O)(O)=O)[CH](O)[CH]2O; c1c[n+](c(nc1N )NCCCCNC(=N)N)C2C(C(C(O2)COP(=O)(O)O)O)O ; NC(=N)NCCCCNc1nc(N)cc[n+]1[C@@H]2O[C@H ](CO[P](O)(O)=O)[C@@H](O)[C@H]2O; [H]/N= C(\N)/NCCCCNc1nc(cc[n+]1[C@H]2[C@@H]([C@ @H]([C@H](O2)COP(=O)(O)O)O)O)N |
[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate; agmatidine |
| 30858 |  OBY |
1 | C18 H16 N2 O2 S2 | InChI=1S/C18H16N2O2S2/c1- 10(21)19-17-9-13-12(3-2-4 -14(13)24-17)15-7-8-16(23 -15)18(22)20-11-5-6-11/h2 -4,7-9,11H,5-6H2,1H3,(H,1 9,21)(H,20,22); VAHDZEQDAMISFZ-UHFFFAOYSA-N |
N(C1CC1)C(=O)c2ccc(s2)c3cccc4sc(cc34)NC( C)=O; CC(=O)Nc1sc2cccc(c3sc(cc3)C(=O)NC4 CC4)c2c1; CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3 )C(=O)NC4CC4 |
5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide |
| 30859 |  OBZ CHEMBL443652 ZINC000000155377 |
5 | C7 H9 N O | InChI=1S/C7H9NO/c8-9-6-7- 4-2-1-3-5-7/h1-5H,6,8H2; XYEOALKITRFCJJ-UHFFFAOYSA-N |
c1ccc(cc1)CON; NOCc1ccccc1; [(aminooxy)m ethyl]benzene |
O-benzylhydroxylamine |
| 30860 |  OC0 |
1 | C9 H13 B N7 O6 S2 | InChI=1S/C9H13BN7O6S2/c11 -8-14-15-9(25-8)24-3-6(18 )12-5(10(21,22)23)2-17-1- 4(7(19)20)13-16-17/h1,5,2 1-23H,2-3H2,(H2,11,14)(H, 12,18)(H,19,20)/q-1/t5-/m 0/s1; QYCRGDXARHKIHF-YFKPBYRVSA-N |
[B-]([C@H](Cn1cc(nn1)C(=O)O)NC(=O)CSc2nn c(s2)N)(O)(O)O; O=C(CSc1nnc(N)s1)NC(Cn1c c(nn1)C(=O)O)[B-](O)(O)O; [B-](C(Cn1cc(n n1)C(=O)O)NC(=O)CSc2nnc(s2)N)(O)(O)O; Nc 1sc(SCC(=O)N[CH](Cn2cc(nn2)C(O)=O)[B-](O )(O)O)nn1; Nc1sc(SCC(=O)N[C@@H](Cn2cc(nn 2)C(O)=O)[B-](O)(O)O)nn1 |
[(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron |
| 30861 |  OC1 |
0 | Ca H2 O | InChI=1/Ca.H2O/h;1H2/q+2; /rCaH2O/c1-2/h2H2/q+2; ZLYHCTAZFNBBLQ-YKZZLKGYAU |
O|[Ca++]; [OH2][Ca+2] | CALCIUM ION, 1 WATER COORDINATED |
| 30862 |  OC2 |
0 | Ca H4 O2 | InChI=1/Ca.2H2O/h;2*1H2/q +2;;/rCaH4O2/c2-1-3/h2-3H 2/q+2; AXCZMVOFGPJBDE-ZCENPISFAZ |
[OH2][Ca+2][OH2]; O|[Ca++]|O | CALCIUM ION, 2 WATERS COORDINATED |
| 30863 |  OC3 |
0 | Ca H6 O3 | InChI=1/Ca.3H2O/h;3*1H2/q +2;;;/rCaH6O3/c2-1(3)4/h2 -4H2/q+2; CQVAWTWGTHPABZ-QKWZHWDEAH |
O|[Ca++](|O)|O; [OH2][Ca+2]([OH2])[OH2] | CALCIUM ION, 3 WATERS COORDINATED |
| 30864 |  OC4 |
0 | Ca H8 O4 | InChI=1/Ca.4H2O/h;4*1H2/q +2;;;;/rCaH8O4/c2-1(3,4)5 /h2-5H2/q+2; JREMHFSNYKJOBO-MRWHTQGUAJ |
[OH2][Ca+2]([OH2])([OH2])[OH2]; O|[Ca++] (|O)(|O)|O |
CALCIUM ION, 4 WATERS COORDINATED |
| 30865 |  OC5 |
0 | Ca H10 O5 | InChI=1/Ca.5H2O/h;5*1H2/q +2;;;;;/rCaH10O5/c2-1(3,4 ,5)6/h2-6H2/q+2; SDTOZUFEVIWYDZ-TXNURSLKAL |
O|[Ca++](|O)(|O)(|O)|O; [OH2][Ca+2]([OH2 ])([OH2])([OH2])[OH2] |
CALCIUM ION, 5 WATERS COORDINATED |
| 30866 |  OC6 |
0 | Ca H12 O6 | InChI=1/Ca.6H2O/h;6*1H2/q +2;;;;;;/rCaH12O6/c2-1(3, 4,5,6)7/h2-7H2/q+2; GXTAVUFVWOVBHJ-MFBRWFRNAS |
O|[Ca++](|O)(|O)(|O)(|O)|O; [OH2][Ca+2]( [OH2])([OH2])([OH2])([OH2])[OH2] |
CALCIUM ION, 6 WATERS COORDINATED |
| 30867 |  OC7 |
0 | Ca H14 O7 | InChI=1/Ca.7H2O/h;7*1H2/q +2;;;;;;;/rCaH14O7/c2-1(3 ,4,5,6,7)8/h2-8H2/q+2; IKNIPDOCBAOMNN-QXAJHBKCAV |
[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])( [OH2])[OH2]; O|[Ca++](|O)(|O)(|O)(|O)(|O )|O |
CALCIUM ION, 7 WATERS COORDINATED |
| 30868 |  OC8 |
0 | Ca H16 O8 | InChI=1/Ca.8H2O/h;8*1H2/q +2;;;;;;;;/rCaH16O8/c2-1( 3,4,5,6,7,8)9/h2-9H2/q+2; ANOVGYXSEQQEKP-DJECICIMAH |
[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])( [OH2])([OH2])[OH2]; O|[Ca++](|O)(|O)(|O) (|O)(|O)(|O)|O |
CALCIUM ION, 8 WATERS COORDINATED |
| 30869 |  OC9 CHEMBL26215 DB12452 ZINC000001532735 |
7 | C8 H18 O | InChI=1S/C8H18O/c1-2-3-4- 5-6-7-8-9/h9H,2-8H2,1H3; KBPLFHHGFOOTCA-UHFFFAOYSA-N |
CCCCCCCCO; OCCCCCCCC | OCTAN-1-OL |
| 30870 |  OCA CHEMBL324846 DB04519 ZINC000001530416 |
99 | C8 H16 O2 | InChI=1S/C8H16O2/c1-2-3-4 -5-6-7-8(9)10/h2-7H2,1H3, (H,9,10); WWZKQHOCKIZLMA-UHFFFAOYSA-N |
O=C(O)CCCCCCC; CCCCCCCC(=O)O; CCCCCCCC(O )=O |
OCTANOIC ACID (CAPRYLIC ACID) |
| 30871 |  OCB CHEMBL1234930 DB03832 ZINC000002572325 |
1 | C15 H30 N O4 | InChI=1S/C15H29NO4/c1-5-6 -7-8-9-10-15(19)20-13(11- 14(17)18)12-16(2,3)4/h13H ,5-12H2,1-4H3/p+1/t13-/m1 /s1; CXTATJFJDMJMIY-CYBMUJFWSA-O |
CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C; CCCCCCCC(=O)O[CH](CC(O)=O)C[N+](C)(C)C; O=C(O)CC(OC(=O)CCCCCCC)C[N+](C)(C)C; CC CCCCCC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C; C CCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C |
OCTANOYLCARNITINE; 3-CARBOXY-N,N,N-TRIMETHYL-2-(OCTANOYLOXY)PROPAN-1-AMINIUM |
| 30872 |  OCC CHEMBL385658 ZINC000044053436 |
1 | C30 H50 O5 | InChI=1S/C30H50O5/c1-20(9 -6-15-29(3,4)34)24-13-14- 25-22(10-7-16-30(24,25)5) 11-12-23-19-26(32)28(27(3 3)21(23)2)35-18-8-17-31/h 11-12,20,24-28,31-34H,2,6 -10,13-19H2,1,3-5H3/b22-1 1+,23-12-/t20-,24-,25+,26 -,27-,28+,30-/m1/s1; FZEXGDDBXLBRTD-VCBASKJSSA-N |
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@] 1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3 =C)O)OCCCO)O)C; CC(CCCC(C)(C)O)C1CCC2C1( CCCC2=CC=C3CC(C(C(C3=C)O)OCCCO)O)C; C[C@ H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]1 2C)=C\C=C/3C[C@@H](O)[C@H](OCCCO)[C@H](O )C/3=C; O(CCCO)C3C(O)C(\C(=C/C=C1\CCCC2( C)C(C(C)CCCC(O)(C)C)CCC12)CC3O)=C; C[CH] (CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC =C3C[CH](O)[CH](OCCCO)[CH](O)C3=C |
2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3; 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPOXY)-,(1A,2A,3B,5Z,7E) |
| 30873 |  OCD ZINC000008217412 |
4 | C18 H36 O | InChI=1S/C18H36O/c1-2-3-4 -5-6-7-8-9-10-11-12-13-14 -15-16-17-18-19/h18H,2-17 H2,1H3; FWWQKRXKHIRPJY-UHFFFAOYSA-N |
C(CCCCCCCCCCCCCCCCC)=O; CCCCCCCCCCCCCCCC CC=O |
octadecanal |
| 30874 |  OCE CHEMBL1162491 ZINC000001531046 |
0 | C8 H14 O4 | InChI=1S/C8H14O4/c9-7(10) 5-3-1-2-4-6-8(11)12/h1-6H 2,(H,9,10)(H,11,12); TYFQFVWCELRYAO-UHFFFAOYSA-N |
OC(=O)CCCCCCC(O)=O; O=C(O)CCCCCCC(=O)O; C(CCCC(=O)O)CCC(=O)O |
octanedioic acid |
| 30875 |  OCF |
9 | C11 H15 N2 O8 P | InChI=1S/C11H15N2O8P/c1-7 -11(16)9(5-13-20-3-2-10(1 4)15)8(4-12-7)6-21-22(17, 18)19/h4-5,16H,2-3,6H2,1H 3,(H,14,15)(H2,17,18,19)/ b13-5+; WFKOVQOIGDESOJ-WLRTZDKTSA-N |
Cc1ncc(CO[P](O)(O)=O)c(\C=N\OCCC(O)=O)c1 O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OCCC(=O )O)O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCCC(= O)O)O; Cc1ncc(CO[P](O)(O)=O)c(C=NOCCC(O) =O)c1O |
3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid; PYRIDOXAMINE-5'-PHOSPHATE linked to 3-aminooxypropionic acid |
| 30876 |  OCG CHEMBL1234931 ZINC000058638822 |
1 | C21 H18 N6 O3 | InChI=1S/C21H18N6O3/c1-13 -7-8-14(20(28)25-18-9-10- 30-26-18)11-17(13)24-21(2 9)16-12-23-27(19(16)22)15 -5-3-2-4-6-15/h2-12H,22H2 ,1H3,(H,24,29)(H,25,26,28 ); DMYYPSLMFSEFCK-UHFFFAOYSA-N |
Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O) Nc4ccon4; O=C(c3ccc(c(NC(=O)c1c(N)n(nc1) c2ccccc2)c3)C)Nc4nocc4 |
5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide |
| 30877 |  OCH CHEMBL186422 DB04745 ZINC000008579298 |
8 | C9 H7 N O | InChI=1S/C9H7NO/c11-9-6-5 -7-3-1-2-4-8(7)10-9/h1-6H ,(H,10,11); LISFMEBWQUVKPJ-UHFFFAOYSA-N |
c1ccc2c(c1)C=CC(=O)N2; O=C1Nc2ccccc2C=C1 ; O=C2C=Cc1c(cccc1)N2 |
QUINOLIN-2(1H)-ONE; 2-OXOQUINOLINE |
| 30878 |  OCI |
1 | C14 H15 Cl N4 O3 S | InChI=1S/C14H15ClN4O3S/c1 -9-2-3-17-8-13(9)18-14(20 )6-10-4-11(15)7-12(5-10)1 9-23(16,21)22/h2-5,7-8,19 H,6H2,1H3,(H,18,20)(H2,16 ,21,22); NLTIJDKXVUTASZ-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[S](N)(=O)=O )c2; Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NS(=O )(=O)N; O=C(Nc1cnccc1C)Cc1cc(NS(N)(=O)=O )cc(Cl)c1 |
2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 30879 |  OCJ CHEMBL5191496 |
5 | C21 H17 N3 O2 S2 | InChI=1S/C21H17N3O2S2/c22 -13-4-1-3-12(9-13)11-24-2 1(26)18-8-7-17(27-18)14-5 -2-6-16-15(14)10-19(28-16 )20(23)25/h1-10H,11,22H2, (H2,23,25)(H,24,26); SDZHQRUPXPKDOD-UHFFFAOYSA-N |
N(Cc1cccc(c1)N)C(=O)c2sc(cc2)c3cccc4c3cc (s4)C(N)=O; c1cc(cc(c1)N)CNC(=O)c2ccc(s2 )c3cccc4c3cc(s4)C(=O)N; NC(=O)c1sc2cccc( c3sc(cc3)C(=O)NCc4cccc(N)c4)c2c1 |
4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide |
| 30880 |  OCK |
1 | C15 H20 N2 O2 | InChI=1S/C15H20N2O2/c1-4- 10-15(3)14(19)16-12-9-7-6 -8-11(12)13(18)17(15)5-2/ h6-9H,4-5,10H2,1-3H3,(H,1 6,19)/t15-/m1/s1; QTYBGLRTPWRNRA-OAHLLOKOSA-N |
CCCC1(C(=O)Nc2ccccc2C(=O)N1CC)C; CCC[C]1 (C)N(CC)C(=O)c2ccccc2NC1=O; CCC[C@@]1(C( =O)Nc2ccccc2C(=O)N1CC)C; CCC[C@@]1(C)N(C C)C(=O)c2ccccc2NC1=O |
(3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione |
| 30881 |  OCL |
0 | Co H2 O | InChI=1/Co.H2O/h;1H2/q+2; /rCoH2O/c1-2/h2H2/q+2; GXAPHLHAAXQSRR-NIAGCICNAT |
[OH2][Co+2]; O|[Co++] | COBALT ION, 1 WATER COORDINATED |
| 30882 |  OCM |
0 | Co H6 O3 | InChI=1/Co.3H2O/h;3*1H2/q +2;;;/rCoH6O3/c2-1(3)4/h2 -4H2/q+2; VWGMCGRTCLVGQL-KFMNIWJQAS |
O|[Co++](|O)|O; [OH2][Co+2]([OH2])[OH2] | COBALT ION, 3 WATERS COORDINATED |
| 30883 |  OCN |
0 | Co H4 O2 | InChI=1/Co.2H2O/h;2*1H2/q +2;;/rCoH4O2/c2-1-3/h2-3H 2/q+2; ASKVAEGIVYSGNY-MHFWSPLWAM |
O|[Co++]|O; [OH2][Co+2][OH2] | COBALT ION, 2 WATERS COORDINATED |
| 30884 |  OCO |
0 | Co H12 O6 | InChI=1/Co.6H2O/h;6*1H2/q +3;;;;;;/rCoH12O6/c2-1(3, 4,5,6)7/h2-7H2/q+3; SZVWFEVRDOMFNX-PWSSTMCRAL |
[OH2][Co+3]([OH2])([OH2])([OH2])([OH2])[ OH2]; O|[Co+3](|O)(|O)(|O)(|O)|O |
COBALT ION,6 WATERS COORDINATED |
| 30885 |  OCP ZINC000058632555 |
2 | C29 H59 N2 O7 P | InChI=1S/C29H59N2O7P/c1-4 -7-10-13-16-19-22-30-28(3 2)36-25-27(38-29(33)31-23 -20-17-14-11-8-5-2)26-37- 39(34,35)24-21-18-15-12-9 -6-3/h27H,4-26H2,1-3H3,(H ,30,32)(H,31,33)(H,34,35) /t27-/m1/s1; QRWKUAOYWKHOGP-HHHXNRCGSA-N |
CCCCCCCCNC(=O)OC[C@H](CO[P@](O)(=O)CCCCC CCC)OC(=O)NCCCCCCCC; O=P(O)(OCC(OC(=O)NC CCCCCCC)COC(=O)NCCCCCCCC)CCCCCCCC; CCCCC CCCNC(=O)OC[C@H](CO[P@](=O)(CCCCCCCC)O)O C(=O)NCCCCCCCC; CCCCCCCCNC(=O)OC[CH](CO[ P](O)(=O)CCCCCCCC)OC(=O)NCCCCCCCC; CCCCC CCCNC(=O)OCC(COP(=O)(CCCCCCCC)O)OC(=O)NC CCCCCCC |
OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER |
| 30886 |  OCQ ZINC000064624497 |
0 | C8 H14 N2 O3 | InChI=1S/C8H14N2O3/c9-6(7 (12)4-11)3-5-1-2-10-8(5)1 3/h5-6,11H,1-4,9H2,(H,10, 13)/t5-,6-/m0/s1; IZFXLIWWJCODDL-WDSKDSINSA-N |
C1CNC(=O)C1CC(C(=O)CO)N; N[CH](C[CH]1CCN C1=O)C(=O)CO; O=C1NCCC1CC(N)C(=O)CO; C1C NC(=O)[C@@H]1C[C@@H](C(=O)CO)N; N[C@@H]( C[C@@H]1CCNC1=O)C(=O)CO |
(3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXOBUTYL]PYRROLIDIN-2-ONE |
| 30887 |  OCR ZINC000039031959 |
4 | C20 H30 O3 | InChI=1S/C20H30O3/c1-2-3- 13-16-19(21)17-14-11-9-7- 5-4-6-8-10-12-15-18-20(22 )23/h4-5,8-11,14,17H,2-3, 6-7,12-13,15-16,18H2,1H3, (H,22,23)/b5-4+,10-8+,11- 9-,17-14+; YGJTUEISKATQSM-KIFLIQHDSA-N |
CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)O; CCCCC C(=O)C=CC=CCC=CCC=CCCCC(O)=O; CCCCCC(=O) \C=C\C=C/C\C=C\C\C=C\CCCC(=O)O; O=C(\C=C \C=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC; CCCCCC (=O)\C=C\C=C/C/C=C/C/C=C/CCCC(O)=O |
(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid; 15-oxo-eicosatetraenoic acid |
| 30888 |  OCS DB03661 ZINC000004228276 |
4 | C3 H7 N O5 S | InChI=1S/C3H7NO5S/c4-2(3( 5)6)1-10(7,8)9/h2H,1,4H2, (H,5,6)(H,7,8,9)/t2-/m0/s 1; XVOYSCVBGLVSOL-REOHCLBHSA-N |
C([C@@H](C(=O)O)N)S(=O)(=O)O; N[CH](C[S] (O)(=O)=O)C(O)=O; O=S(=O)(O)CC(C(=O)O)N; N[C@@H](C[S](O)(=O)=O)C(O)=O; C(C(C(=O) O)N)S(=O)(=O)O |
CYSTEINESULFONIC ACID |
| 30889 |  OCT CHEMBL134886 ZINC000001529191 |
0 | C8 H18 | InChI=1S/C8H18/c1-3-5-7-8 -6-4-2/h3-8H2,1-2H3; TVMXDCGIABBOFY-UHFFFAOYSA-N |
CCCCCCCC | N-OCTANE |
| 30890 |  OCU |
8 | C22 H23 N3 O8 S2 | InChI=1S/C22H23N3O8S2/c23 -15-2-1-3-16(11-15)34(30, 31)24-6-8-25(9-7-24)35(32 ,33)22-13-21(29)20(28)12- 17(22)14-4-5-18(26)19(27) 10-14/h1-5,10-13,26-29H,6 -9,23H2; RKRYYZNPSXXWRX-UHFFFAOYSA-N |
Nc1cccc(c1)[S](=O)(=O)N2CCN(CC2)[S](=O)( =O)c3cc(O)c(O)cc3c4ccc(O)c(O)c4; O=S(=O) (c1cc(O)c(O)cc1c1ccc(O)c(O)c1)N1CCN(CC1) S(=O)(=O)c1cc(N)ccc1; c1cc(cc(c1)S(=O)(= O)N2CCN(CC2)S(=O)(=O)c3cc(c(cc3c4ccc(c(c 4)O)O)O)O)N |
(1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol |
| 30891 |  OCV ZINC000015574627 |
1 | C14 H24 N2 O7 S | InChI=1S/C14H24N2O7S/c1-7 (2)11(13(20)21)23-14(22)9 (6-24)16-10(17)5-3-4-8(15 )12(18)19/h7-9,11,24H,3-6 ,15H2,1-2H3,(H,16,17)(H,1 8,19)(H,20,21)/t8-,9-,11+ /m0/s1; HSEGTKOWKZOZDX-ATZCPNFKSA-N |
CC(C)[C@@H](OC(=O)[C@H](CS)NC(=O)CCC[C@H ](N)C(O)=O)C(O)=O; CC(C)C(C(=O)O)OC(=O)C (CS)NC(=O)CCCC(C(=O)O)N; CC(C)[C@H](C(=O )O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O )N; CC(C)[CH](OC(=O)[CH](CS)NC(=O)CCC[CH ](N)C(O)=O)C(O)=O; O=C(OC(C(=O)O)C(C)C)C (NC(=O)CCCC(C(=O)O)N)CS |
N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE; L-D-(A-AMINOADIPOYL)-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER |
| 30892 |  OCW CHEMBL3609771 ZINC000031416760 |
0 | C24 H22 O11 | InChI=1S/C24H22O11/c1-9-1 5-10(7-12(32-2)16(9)22(30 )34-4)6-11-17(18(15)26)21 (29)24(35-5)14(25)8-13(33 -3)20(28)23(24,31)19(11)2 7/h6-8,20,26,28,31H,1-5H3 /t20-,23-,24-/m1/s1; QSPIPUXWSNFXCK-AGILITTLSA-N |
Cc1c2c(cc3c(c2O)C(=O)[C@@]4(C(=O)C=C([C@ H]([C@@]4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC ; Cc1c2c(cc3c(c2O)C(=O)C4(C(=O)C=C(C(C4( C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC; COC(=O)c 1c(C)c2c(O)c3C(=O)[C@]4(OC)C(=O)C=C(OC)[ C@@H](O)[C@]4(O)C(=O)c3cc2cc1OC; COC(=O) c1c(C)c2c(O)c3C(=O)[C]4(OC)C(=O)C=C(OC)[ CH](O)[C]4(O)C(=O)c3cc2cc1OC |
Tetracenomycin X; methyl (6aR,7S,10aR)-3,8,10a-trimethoxy-1-methyl-6a,7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate |
| 30893 |  OCX |
2 | C20 H30 O3 | InChI=1S/C20H30O3/c1-2-3- 4-5-6-7-8-9-10-13-16-19(2 1)17-14-11-12-15-18-20(22 )23/h6-7,9-11,13-14,16H,2 -5,8,12,15,17-18H2,1H3,(H ,22,23)/b7-6+,10-9+,14-11 +,16-13?; ULAXHDZCBOQYGV-IXYQYOLGSA-N |
CCCCC\C=C\C\C=C\C=CC(=O)C\C=C\CCCC(=O)O; CCCCCC=CCC=CC=CC(=O)CC=CCCCC(O)=O; CCCC CC=CCC=CC=CC(=O)CC=CCCCC(=O)O; CCCCC\C=C \C\C=C\C=C\C(=O)C\C=C\CCCC(O)=O; O=C(\C= C\C=C\C/C=C/CCCCC)C/C=C/CCCC(=O)O |
(5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid; 8-oxo-eicosatetraenoic acid |
| 30894 |  OCY DB02413 ZINC000002525397 |
0 | C5 H11 N O3 S | InChI=1S/C5H11NO3S/c6-4(5 (8)9)3-10-2-1-7/h4,7H,1-3 ,6H2,(H,8,9)/t4-/m0/s1; MWFRVMDVLYIXJF-BYPYZUCNSA-N |
C(CSC[C@@H](C(=O)O)N)O; N[CH](CSCCO)C(O) =O; N[C@@H](CSCCO)C(O)=O; O=C(O)C(N)CSCC O; C(CSCC(C(=O)O)N)O |
HYDROXYETHYLCYSTEINE |
| 30895 |  OCZ CHEMBL597477 ZINC000000093985 |
12 | C13 H13 Cl N2 O | InChI=1S/C13H13ClN2O/c14- 7-4-5-11-10(6-7)8-2-1-3-9 (13(15)17)12(8)16-11/h4-6 ,9,16H,1-3H2,(H2,15,17)/t 9-/m0/s1; FUZYTVDVLBBXDL-VIFPVBQESA-N |
NC(=O)[C@H]1CCCc2c1[nH]c3ccc(Cl)cc23; NC (=O)[CH]1CCCc2c1[nH]c3ccc(Cl)cc23; c1cc2 c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N; c1c c2c(cc1Cl)c3c([nH]2)C(CCC3)C(=O)N; Clc1c c2c(cc1)nc3c2CCCC3C(=O)N |
(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide |
| 30896 |  OD0 |
4 | C6 H9 F O3 | InChI=1S/C6H9FO3/c7-3-1-2 -4(8)6(10)5(3)9/h1-6,8-10 H/t3-,4-,5+,6+/m0/s1; DGGHLTXNAWHUTK-UNTFVMJOSA-N |
O[C@H]1C=C[C@H](F)[C@@H](O)[C@@H]1O; C1= CC(C(C(C1O)O)O)F; C1=C[C@@H]([C@H]([C@@H ]([C@H]1O)O)O)F; O[CH]1C=C[CH](F)[CH](O) [CH]1O |
(1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol |
| 30897 |  OD1 |
1 | C17 H17 N3 O2 S2 | InChI=1S/C17H17N3O2S2/c18 -7-2-8-20-17(22)14-6-5-13 (23-14)10-3-1-4-12-11(10) 9-15(24-12)16(19)21/h1,3- 6,9H,2,7-8,18H2,(H2,19,21 )(H,20,22); FMTKEOGINPLCJD-UHFFFAOYSA-N |
c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCC CN; NCCCNC(=O)c1sc(cc1)c2cccc3sc(cc23)C( N)=O; c1ccc3c(c1c2ccc(C(NCCCN)=O)s2)cc(C (=O)N)s3 |
4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide |
| 30898 |  OD2 CHEMBL1836719 ZINC000072123072 |
1 | C15 H12 N2 O2 S3 | InChI=1S/C15H12N2O2S3/c1- 20-10-4-2-9(3-5-10)12-6-1 1-14(22-12)15(17-8-16-11) 21-7-13(18)19/h2-6,8H,7H2 ,1H3,(H,18,19); KJCQGDBVLKOAHP-UHFFFAOYSA-N |
CSc1ccc(cc1)c2sc3c(SCC(O)=O)ncnc3c2; CSc 1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O |
2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid |
| 30899 |  OD3 CHEMBL85398 DB11898 ZINC000008554292 |
1 | C3 H3 N O2 S | InChI=1S/C3H3NO2S/c5-2-1- 7-3(6)4-2/h1H2,(H,4,5,6); ZOBPZXTWZATXDG-UHFFFAOYSA-N |
C1C(=O)NC(=O)S1; O=C1CSC(=O)N1 | 1,3-thiazolidine-2,4-dione; 2,4-Thiazolidinedione |
| 30900 |  OD4 |
1 | C17 H16 N2 O3 S2 | InChI=1S/C17H16N2O3S2/c18 -7-2-8-19-16(20)14-6-5-13 (23-14)10-3-1-4-12-11(10) 9-15(24-12)17(21)22/h1,3- 6,9H,2,7-8,18H2,(H,19,20) (H,21,22); PPVOHCUEWCXUEU-UHFFFAOYSA-N |
c1cc(c2cc(sc2c1)C(=O)O)c3ccc(s3)C(=O)NCC CN; NCCCNC(=O)c1sc(cc1)c2cccc3sc(cc23)C( O)=O; C(c3ccc(c2c1c(sc(C(=O)O)c1)ccc2)s3 )(NCCCN)=O |
4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid |
| 30901 |  OD5 |
8 | C12 H10 O6 S | InChI=1S/C12H10O6S/c13-9- 3-1-7(5-11(9)15)19(17,18) 8-2-4-10(14)12(16)6-8/h1- 6,13-16H; ASVQOVSTAOQGAT-UHFFFAOYSA-N |
c1cc(c(cc1S(=O)(=O)c2ccc(c(c2)O)O)O)O; O c1ccc(cc1O)[S](=O)(=O)c2ccc(O)c(O)c2; Oc 1ccc(cc1O)S(=O)(=O)c1cc(O)c(O)cc1 |
4,4'-sulfonyldi(benzene-1,2-diol) |
| 30902 |  OD6 |
1 | C16 H14 N2 Se | InChI=1S/C16H14N2Se/c17-1 6-18-15(11-19-16)14-8-6-1 3(7-9-14)10-12-4-2-1-3-5- 12/h1-9,11H,10H2,(H2,17,1 8); TVNNGQGXOFXDAF-UHFFFAOYSA-N |
Nc1[se]cc(n1)c2ccc(Cc3ccccc3)cc2; c1ccc( cc1)Cc2ccc(cc2)c3c[se]c(n3)N |
4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine; 4-(4-Benzylphenyl)-selenazol-2-amine |
| 30903 |  OD7 |
1 | C26 H28 N6 O2 | InChI=1S/C26H28N6O2/c1-34 -23-9-10-24-25(16-23)32(3 0-29-24)18-26(33)31(17-21 -4-2-3-13-28-21)22-7-5-19 (6-8-22)20-11-14-27-15-12 -20/h2-10,13,16,20,27H,11 -12,14-15,17-18H2,1H3; NIAFAWJPFVWDCR-UHFFFAOYSA-N |
COc1ccc2nnn(CC(=O)N(Cc3ccccn3)c4ccc(cc4) C5CCNCC5)c2c1; COc1ccc2c(c1)n(nn2)CC(=O) N(Cc3ccccn3)c4ccc(cc4)C5CCNCC5; COc1ccc2 nnn(CC(=O)N(Cc3ccccn3)c3ccc(cc3)C3CCNCC3 )c2c1 |
2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide |
| 30904 |  OD8 |
1 | C27 H48 O8 | InChI=1S/C27H48O8/c1-13(2 )16-8-9-27(4)10-18-15(12- 33-5)6-7-17(18)14(3)21(29 )25(20(16)27)35-26-24(32) 23(31)22(30)19(11-28)34-2 6/h13-26,28-32H,6-12H2,1- 5H3/t14-,15-,16+,17+,18-, 19-,20-,21-,22-,23+,24-,2 5-,26-,27-/m1/s1; VEMJQLCDXCMEJD-YTTKSRRZSA-N |
C[C@@H]1[C@@H]2CC[C@@H]([C@H]2C[C@]3(CC[ C@H]([C@@H]3[C@H]([C@@H]1O)O[C@@H]4[C@@H ]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C )COC; CC1C2CCC(C2CC3(CCC(C3C(C1O)OC4C(C( C(C(O4)CO)O)O)O)C(C)C)C)COC; COC[CH]1CC[ CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](CO)[C H](O)[CH](O)[CH]3O)[CH]4[CH](CC[C]4(C)C[ CH]12)C(C)C; COC[C@H]1CC[C@H]2[C@@H](C)[ C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O) [C@H](O)[C@H]3O)[C@H]4[C@@H](CC[C@]4(C)C [C@H]12)C(C)C |
(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol; 16-OMe-Fusicoccin H |
| 30905 |  OD9 |
8 | C26 H23 N O8 S | InChI=1S/C26H23NO8S/c28-2 0-7-5-17(10-22(20)30)9-15 -1-3-16(4-2-15)14-27-36(3 4,35)26-13-25(33)24(32)12 -19(26)18-6-8-21(29)23(31 )11-18/h1-8,10-13,27-33H, 9,14H2; MJBOUCYGTWUCAO-UHFFFAOYSA-N |
Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3cc(O)c(O)cc 3c4ccc(O)c(O)c4)cc2)cc1O; c1cc(ccc1Cc2cc c(c(c2)O)O)CNS(=O)(=O)c3cc(c(cc3c4ccc(c( c4)O)O)O)O; O=S(=O)(NCc1ccc(Cc2ccc(O)c(O )c2)cc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1 |
(1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide |
| 30906 |  ODA ZINC000005975922 |
0 | C10 H15 N3 O4 | InChI=1S/C10H15N3O4/c11-6 -3-4-8(14)12-5-1-2-7(10(1 6)17)13(12)9(6)15/h6-7H,1 -5,11H2,(H,16,17)/t6-,7-/ m0/s1; NWQJXXUYZOCKFS-BQBZGAKWSA-N |
O=C(O)C2N1C(=O)C(N)CCC(=O)N1CCC2; C1CC(N 2C(=O)C(CCC(=O)N2C1)N)C(=O)O; N[CH]1CCC( =O)N2CCC[CH](N2C1=O)C(O)=O; N[C@H]1CCC(= O)N2CCC[C@H](N2C1=O)C(O)=O; C1C[C@H](N2C (=O)[C@H](CCC(=O)N2C1)N)C(=O)O |
9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID |
| 30907 |  ODB |
2 | C33 H46 N8 O5 S | InChI=1S/C33H46N8O5S/c34- 31(45)28-21-47-20-25-10-4 -2-8-23(25)17-40(16-22-7- 1-3-9-24(22)19-42)18-30(4 4)41-14-6-11-26(41)15-29( 43)38-27(32(46)39-28)12-5 -13-37-33(35)36/h1-4,7-10 ,26-28,42H,5-6,11-21H2,(H 2,34,45)(H,38,43)(H,39,46 )(H4,35,36,37)/t26-,27-,2 8-/m0/s1; IXLKCOMKHVAIOV-KCHLEUMXSA-N |
c1ccc2c(c1)CN(CC(=O)N3CCCC3CC(=O)NC(C(=O )NC(CSC2)C(=O)N)CCCNC(=N)N)Cc4ccccc4CO; NC(=N)NCCC[C@@H]1NC(=O)C[C@@H]2CCCN2C(=O )CN(Cc3ccccc3CO)Cc4ccccc4CSC[C@H](NC1=O) C(N)=O; NC(=N)NCCC[CH]1NC(=O)C[CH]2CCCN2 C(=O)CN(Cc3ccccc3CO)Cc4ccccc4CSC[CH](NC1 =O)C(N)=O; [H]/N=C(/N)\NCCC[C@H]1C(=O)N[ C@@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC( =O)N1)Cc4ccccc4CO)C(=O)N |
(10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide; P2 macrocycle; (10S,14S,17R)-14-(3-guanidinopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-trioxo-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.06,10]pentacosa-1(25),21,23-triene-17-carboxamide |
| 30908 |  ODC |
1 | C19 H26 Cl2 N2 O3 | InChI=1S/C19H26Cl2N2O3/c1 -19(2,26-16-5-3-15(21)4-6 -16)18(25)23-11-8-14(9-12 -23)7-10-22-17(24)13-20/h 3-6,14H,7-13H2,1-2H3,(H,2 2,24); HSPMLEKSWRTATK-UHFFFAOYSA-N |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)C Cl)CC2; CC(C)(C(=O)N1CCC(CC1)CCNC(=O)CCl )Oc2ccc(cc2)Cl |
2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide |
| 30909 |  ODD CHEMBL1093743 DB04746 ZINC000012504490 |
1 | C18 H32 O2 | InChI=1S/C18H32O2/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18(19)20/h6-9H ,2-5,10-17H2,1H3,(H,19,20 )/b7-6-,9-8+; GKJZMAHZJGSBKD-NMMTYZSQSA-N |
CCCCCC=CC=CCCCCCCCCC(=O)O; CCCCC\C=C/C=C /CCCCCCCCC(=O)O; CCCCC\C=C/C=C/CCCCCCCCC (O)=O; CCCCCC=CC=CCCCCCCCCC(O)=O; O=C(O) CCCCCCCC\C=C\C=C/CCCCC |
(10E,12Z)-OCTADECA-10,12-DIENOIC ACID; 10-TRANS-12-CIS-OCTADECADIENOIC ACID |
| 30910 |  ODE DB08320 ZINC000013675708 |
2 | C24 H24 O7 | InChI=1S/C24H24O7/c1-3-29 -23(27)19-20(24(28)30-4-2 )22-18(14-7-11-16(26)12-8 -14)17(21(19)31-22)13-5-9 -15(25)10-6-13/h5-12,19-2 2,25-26H,3-4H2,1-2H3/t19- ,20+,21-,22+; NHKDFDHHMHBFLG-COPRSSIGSA-N |
CCOC(=O)[C@@H]1[C@H]2O[C@@H]([C@@H]1C(=O )OCC)C(=C2c3ccc(O)cc3)c4ccc(O)cc4; O=C(O CC)C4C(C(=O)OCC)C3OC4C(c1ccc(O)cc1)=C3c2 ccc(O)cc2; CCOC(=O)[C@H]1[C@H]([C@H]2C(= C([C@@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O )OCC; CCOC(=O)C1C(C2C(=C(C1O2)c3ccc(cc3) O)c4ccc(cc4)O)C(=O)OCC; CCOC(=O)[CH]1[CH ]2O[CH]([CH]1C(=O)OCC)C(=C2c3ccc(O)cc3)c 4ccc(O)cc4 |
DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE |
| 30911 |  ODF CHEMBL1561505 ZINC000100019684 |
4 | C4 H4 N2 O3 | InChI=1S/C4H4N2O3/c7-2-1- 5-4(9)6-3(2)8/h1,7H,(H2,5 ,6,8,9); OFJNVANOCZHTMW-UHFFFAOYSA-N |
C1=C(C(=O)NC(=O)N1)O; OC1=CNC(=O)NC1=O | 5-oxidanyl-1~{H}-pyrimidine-2,4-dione; 5-Hydroxy-2,4(1H,3H)-pyrimidinedion |
| 30912 |  ODG |
1 | C20 H21 N5 O | InChI=1S/C20H21N5O/c21-14 -18-7-8-19(23-22-18)24-9- 11-25(12-10-24)20(26)13-1 5-1-3-16(4-2-15)17-5-6-17 /h1-4,7-8,17H,5-6,9-13H2; CXSADKGUEBUMLH-UHFFFAOYSA-N |
c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C 4CC4; c4(ccc(N3CCN(C(Cc2ccc(C1CC1)cc2)=O )CC3)nn4)C#N; O=C(Cc1ccc(cc1)C2CC2)N3CCN (CC3)c4ccc(nn4)C#N |
6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile |
| 30913 |  ODH CHEMBL1408855 ZINC000004869926 |
1 | C14 H11 N3 O2 | InChI=1S/C14H11N3O2/c18-1 4(17-9-11-2-1-7-19-11)10- 3-4-12-13(8-10)16-6-5-15- 12/h1-8H,9H2,(H,17,18); HNDVFGAJLBLXDW-UHFFFAOYSA-N |
O=C(NCc1occc1)c3cc2nccnc2cc3; c1cc(oc1)C NC(=O)c2ccc3c(c2)nccn3; O=C(NCc1occc1)c2 ccc3nccnc3c2 |
N-(furan-2-ylmethyl)quinoxaline-6-carboxamide |
| 30914 |  ODI ZINC000001574321 |
1 | C8 H18 O2 | InChI=1S/C8H18O2/c9-7-5-3 -1-2-4-6-8-10/h9-10H,1-8H 2; OEIJHBUUFURJLI-UHFFFAOYSA-N |
OCCCCCCCCO; C(CCCCO)CCCO | OCTANE-1,8-DIOL; 1,8-OCTANEDIOL |
| 30915 |  ODJ CHEMBL4469360 |
1 | C25 H22 N6 O3 | InChI=1S/C25H22N6O3/c1-15 -12-16(27-25(33)23-18-6-4 -5-7-21(18)30(2)29-23)8-1 0-20(15)28-24(32)19-13-26 -31-14-17(34-3)9-11-22(19 )31/h4-14H,1-3H3,(H,27,33 )(H,28,32); LXWXQRLCBZDGSZ-UHFFFAOYSA-N |
COc1ccc2n(c1)ncc2C(=O)Nc3ccc(NC(=O)c4nn( C)c5ccccc45)cc3C; c4cc5c(C(Nc3ccc(NC(c2c 1ccc(cn1nc2)OC)=O)c(C)c3)=O)nn(C)c5cc4; Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O) c4c5ccccc5n(n4)C |
N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide |
| 30916 |  ODK CHEMBL1234945 ZINC000002544993 |
1 | C9 H7 N3 O2 | InChI=1S/C9H7N3O2/c13-9(1 4)8-5-7(11-12-8)6-3-1-2-4 -10-6/h1-5H,(H,11,12)(H,1 3,14); SJBWHTBPIJXUFP-UHFFFAOYSA-N |
O=C(O)c1cc(nn1)c2ncccc2; c1ccnc(c1)c2cc( [nH]n2)C(=O)O; OC(=O)c1[nH]nc(c1)c2ccccn 2 |
3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid; 5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid |
| 30917 |  ODL |
8 | C20 H19 N O4 S | InChI=1S/C20H19NO4S/c22-1 9-11-10-17(13-20(19)23)12 -15-6-8-16(9-7-15)14-21-2 6(24,25)18-4-2-1-3-5-18/h 1-11,13,21-23H,12,14H2; QNXMAYYQTOPLQV-UHFFFAOYSA-N |
Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3ccccc3)cc2) cc1O; c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)Cc3 ccc(c(c3)O)O; O=S(=O)(NCc1ccc(Cc2ccc(O)c (O)c2)cc1)c1ccccc1 |
N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide |
| 30918 |  ODM CHEMBL1907993 ZINC000001531601 |
3 | C10 H20 O | InChI=1S/C10H20O/c1-9(2)5 -4-6-10(3)7-8-11/h5,10-11 H,4,6-8H2,1-3H3/t10-/m1/s 1; QMVPMAAFGQKVCJ-SNVBAGLBSA-N |
C[C@H](CCC=C(C)C)CCO; C/C(C)=C/CCC(C)CCO ; C[CH](CCO)CCC=C(C)C; C[C@@H](CCO)CCC=C (C)C; CC(CCC=C(C)C)CCO |
(3R)-3,7-dimethyloct-6-en-1-ol; citronellol |
| 30919 |  ODN ZINC000263621003 |
17 | C20 H30 O6 | InChI=1S/C20H30O6/c1-9-10 -4-5-11-18-8-26-20(25,19( 11,14(9)22)15(10)23)16(24 )13(18)17(2,3)7-6-12(18)2 1/h9-13,15-16,21,23-25H,4 -8H2,1-3H3/t9-,10+,11+,12 +,13-,15-,16+,18-,19+,20- /m1/s1; RWELMBQGCLVKOE-ZJOCIWLNSA-N |
C[C@@H]1[C@@H]2CC[C@H]3[C@@]45CO[C@@]([C @]3([C@@H]2O)C1=O)([C@H]([C@@H]4C(CC[C@@ H]5O)(C)C)O)O; C[CH]1[CH]2CC[CH]3[C]45CO [C](O)([CH](O)[CH]4C(C)(C)CC[CH]5O)[C]3( [CH]2O)C1=O; O=C2C(C)C4CCC3C51C(C(O)C(O) (OC1)C23C4O)C(CCC5O)(C)C; C[C@@H]1[C@@H] 2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H ]4C(C)(C)CC[C@@H]5O)[C@]3([C@@H]2O)C1=O; CC1C2CCC3C45COC(C3(C2O)C1=O)(C(C4C(CCC5 O)(C)C)O)O |
(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one |
| 30920 |  ODO ZINC000100032746 |
1 | C8 H9 N O3 | InChI=1S/C8H9NO3/c1-5(9-1 2)7-3-2-6(10)4-8(7)11/h2- 4,10-12H,1H3/b9-5+; FQPRUMXSHZSJGM-WEVVVXLNSA-N |
C\C(=N/O)c1ccc(O)cc1O; C/C(=N\O)/c1ccc(c c1O)O; CC(=NO)c1ccc(O)cc1O; N(/O)=C(\c1c cc(O)cc1O)C; CC(=NO)c1ccc(cc1O)O |
4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol |
| 30921 |  ODP DB01753 ZINC000263620886 |
3 | C21 H29 N7 O18 P3 | InChI=1S/C21H28N7O18P3/c2 2-17-12-19(25-6-24-17)28( 7-26-12)21-16(45-47(34,35 )36)14(31)11(44-21)5-42-4 9(39,40)46-48(37,38)41-4- 10-13(30)15(32)20(43-10)2 7-2-1-9(29)8(3-27)18(23)3 3/h1-3,6-8,10-11,13-16,20 -21,30-32H,4-5H2,(H7-,22, 23,24,25,33,34,35,36,37,3 8,39,40)/p+1/t8-,10+,11+, 13+,14+,15+,16+,20+,21+/m 0/s1; PIXSDSMVQQICPA-BYJCYCELSA-O |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O P(=O)(O)OCC4C(C(C(O4)[N+]5=CC(C(=O)C=C5) C(=O)N)O)O)O)OP(=O)(O)O)N; NC(=O)[CH]1C= [N+](C=CC1=O)[CH]2O[CH](CO[P](O)(=O)O[P] (O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[C H]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; NC( =O)[C@H]1C=[N+](C=CC1=O)[C@@H]2O[C@H](CO [P@](O)(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([ C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncn c45)[C@@H](O)[C@H]2O; c1nc(c2c(n1)n(cn2) [C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O) (O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@ H](O4)[N+]5=CC(C(=O)C=C5)C(=O)N)O)O)O)OP (=O)(O)O)N |
4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE |
| 30922 |  ODQ |
1 | C14 H18 N2 O2 | InChI=1S/C14H18N2O2/c1-4- 9-14(2)13(18)15-11-8-6-5- 7-10(11)12(17)16(14)3/h5- 8H,4,9H2,1-3H3,(H,15,18)/ t14-/m1/s1; CNQOZARVGPMUHF-CQSZACIVSA-N |
CCC[C]1(C)N(C)C(=O)c2ccccc2NC1=O; CCC[C@ @]1(C)N(C)C(=O)c2ccccc2NC1=O; CCCC1(C(=O )Nc2ccccc2C(=O)N1C)C; CCC[C@@]1(C(=O)Nc2 ccccc2C(=O)N1C)C |
(3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione |
| 30923 |  ODR ZINC000072114946 |
1 | C15 H19 N O3 | InChI=1S/C15H19NO3/c1-5-1 8-14-7-12(10(3)17)6-13(8- 14)15-9(2)16-19-11(15)4/h 6-8,10,17H,5H2,1-4H3/t10- /m1/s1; AONNGYBECNOVTK-SNVBAGLBSA-N |
CCOc1cc(cc(c1)C(C)O)c2c(noc2C)C; CCOc1cc (cc(c1)c2c(C)onc2C)[CH](C)O; CCOc1cc(cc( c1)[C@@H](C)O)c2c(noc2C)C; CCOc1cc(cc(c1 )c2c(C)onc2C)[C@@H](C)O; n2oc(c(c1cc(OCC )cc(c1)C(O)C)c2C)C |
(1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol |
| 30924 |  ODS DB04451 |
0 | C6 H12 N2 O2 | InChI=1S/C6H12N2O2/c1-7-2 -4-8(5-3-7)6(9)10/h2-5H2, 1H3,(H,9,10); KNWWGBNAUNTSRV-UHFFFAOYSA-N |
O=C(O)N1CCN(C)CC1; CN1CCN(CC1)C(O)=O; CN 1CCN(CC1)C(=O)O |
4-methylpiperazine-1-carboxylic acid |
| 30925 |  ODT DB04747 |
2 | C18 H30 O2 | InChI=1S/C18H30O2/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18(19)20/h3-8H ,2,9-17H2,1H3,(H,19,20)/b 4-3-,6-5+,8-7+; ZSXWVPXJLXTOQQ-ZRGCPWHVSA-N |
CCC=CC=CC=CCCCCCCCCCC(=O)O; O=C(O)CCCCCC CCC\C=C\C=C\C=C/CC; CCC=CC=CC=CCCCCCCCCC C(O)=O; CC\C=C/C=C/C=C/CCCCCCCCCC(O)=O; CC\C=C/C=C/C=C/CCCCCCCCCC(=O)O |
(11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID; 11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID |
| 30926 |  ODU |
4 | H N5 O10 Ru | InChI=1S/4NO2.NO.H2O.Ru/c 4*2-1-3;1-2;;/h;;;;;1H2;/ q;;;;-1;;/p-1; YJGPUQROXYARAA-UHFFFAOYSA-M |
N(=O)[Ru-2]([N+](=O)[O-])([N+](=O)[O-])( [N+](=O)[O-])([N+](=O)[O-])O; O[Ru--](N= O)([N+]([O-])=O)([N+]([O-])=O)([N+]([O-] )=O)[N+]([O-])=O |
tetranitro-nitroso-oxidanyl-ruthenium(2-); hydroxy-tetranitro-nitrosyl-ruthenate |
| 30927 |  ODV ZINC000019204143 |
6 | C2 H8 N O4 P | InChI=1S/C2H8NO4P/c3-1-2( 4)8(5,6)7/h2,4H,1,3H2,(H2 ,5,6,7)/t2-/m1/s1; RTTXIBKRJFIBBG-UWTATZPHSA-N |
NC[CH](O)[P](O)(O)=O; NC[C@H](O)[P](O)(O )=O; O=P(O)(O)C(O)CN; C([C@H](O)P(=O)(O) O)N; C(C(O)P(=O)(O)O)N |
[(1R)-2-amino-1-hydroxyethyl]phosphonic acid |
| 30928 |  ODW CHEMBL4757193 |
2 | C8 H15 N O4 | InChI=1S/C8H15NO4/c10-3-4 -5-1-2-8(13,9-5)7(12)6(4) 11/h4-7,9-13H,1-3H2/t4-,5 +,6-,7-,8+/m0/s1; NLSPHUUFXPUPJJ-GWVFRZDISA-N |
C1CC2(C(C(C(C1N2)CO)O)O)O; OC[CH]1[CH](O )[CH](O)[C]2(O)CC[CH]1N2; OC[C@@H]1[C@H] (O)[C@H](O)[C@]2(O)CC[C@H]1N2; C1C[C@]2( [C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O)O |
(1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol; galacto-noeurostegine; GNS |
| 30929 |  ODX |
1 | C19 H22 Cl N3 O2 | InChI=1S/C19H22ClN3O2/c1- 12-5-6-21-11-17(12)23-19( 25)9-13-7-14(20)10-15(8-1 3)22-16-3-2-4-18(16)24/h5 -8,10-11,16,18,22,24H,2-4 ,9H2,1H3,(H,23,25)/t16-,1 8-/m0/s1; SXRYZSBUMPNSOT-WMZOPIPTSA-N |
Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[C@H]3CCC[C@ @H]3O)c2; O=C(Nc1cnccc1C)Cc1cc(NC2CCCC2O )cc(Cl)c1; Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl )NC3CCCC3O; Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N [CH]3CCC[CH]3O)c2; Cc1ccncc1NC(=O)Cc2cc( cc(c2)Cl)N[C@H]3CCC[C@@H]3O |
2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 30930 |  ODY CHEMBL4455953 |
2 | C28 H28 F N O4 | InChI=1S/C28H28FNO4/c1-18 -24-6-3-7-25(32)28(24)34- 27(26(18)21-4-2-5-22(31)1 4-21)20-8-10-23(11-9-20)3 3-13-12-30-16-19(15-29)17 -30/h2-11,14,19,27,31-32H ,12-13,15-17H2,1H3/t27-/m 0/s1; UEGMBSNOWSMURK-MHZLTWQESA-N |
CC1=C([C@@H](Oc2c(O)cccc12)c3ccc(OCCN4CC (CF)C4)cc3)c5cccc(O)c5; CC1=C(C(Oc2c1ccc c2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O; CC1=C([CH](Oc2c(O)cccc12)c3ccc(OCCN4CC( CF)C4)cc3)c5cccc(O)c5; CC1=C([C@@H](Oc2c 1cccc2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c 5)O; C4(c1ccc(cc1)OCCN2CC(C2)CF)C(c3cc(c cc3)O)=C(c5c(O4)c(ccc5)O)C |
(2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol |
| 30931 |  ODZ |
1 | C14 H17 N O4 | InChI=1S/C14H17NO4/c1-10( 17)8-14(2,9-16)15-13(19)7 -11-3-5-12(18)6-4-11/h3-6 ,9,17-18H,1,7-8H2,2H3,(H, 15,19)/t14-/m0/s1; RSUSHGHDXWZFTH-AWEZNQCLSA-N |
C[C](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O; C[ C@@](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O; C[ C@](CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O; CC( CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O |
2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide |
| 30932 |  OE0 |
8 | C20 H19 N O6 S | InChI=1S/C20H19NO6S/c22-1 7-7-5-15(10-19(17)24)9-13 -1-3-14(4-2-13)12-21-28(2 6,27)16-6-8-18(23)20(25)1 1-16/h1-8,10-11,21-25H,9, 12H2; WNFFMCJBFDREPV-UHFFFAOYSA-N |
Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3ccc(O)c(O)c 3)cc2)cc1O; c1cc(ccc1Cc2ccc(c(c2)O)O)CNS (=O)(=O)c3ccc(c(c3)O)O; Oc1ccc(cc1O)S(=O )(=O)NCc1ccc(Cc2ccc(O)c(O)c2)cc1 |
N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-sulfonamide |
| 30933 |  OE1 ZINC000003911250 |
1 | C19 H23 N3 O2 S | InChI=1S/C19H23N3O2S/c1-3 -12-22(13-4-2)25(23,24)16 -10-11-17-18(14-16)21-19( 20-17)15-8-6-5-7-9-15/h5- 11,14H,3-4,12-13H2,1-2H3, (H,20,21); PFITZESRTBQCHT-UHFFFAOYSA-N |
CCCN(CCC)[S](=O)(=O)c1ccc2[nH]c(nc2c1)c3 ccccc3; CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc( [nH]2)c3ccccc3 |
2-phenyl-N,N-dipropyl-1H-benzimidazole-5-sulfonamide |
| 30934 |  OE2 CHEMBL3586274 ZINC000014681576 |
6 | C11 H14 Br N3 O5 S | InChI=1S/C11H14BrN3O5S/c1 2-8-5-7(1-2-10(8)16)6-9(1 5-18)11(17)14-3-4-21(13,1 9)20/h1-2,5,16,18H,3-4,6H 2,(H,14,17)(H2,13,19,20)/ b15-9+; LZIKVOPNIDEBQJ-OQLLNIDSSA-N |
N[S](=O)(=O)CCNC(=O)\C(Cc1ccc(O)c(Br)c1) =N\O; c1cc(c(cc1CC(=NO)C(=O)NCCS(=O)(=O) N)Br)O; c1cc(c(cc1C/C(=N\O)/C(=O)NCCS(=O )(=O)N)Br)O; N[S](=O)(=O)CCNC(=O)C(Cc1cc c(O)c(Br)c1)=NO |
PSAMMAPLIN C |
| 30935 |  OE3 |
2 | C19 H20 N2 O3 S | InChI=1S/C19H20N2O3S/c1-3 -21-18-10-9-15(12-17(18)1 4(2)11-19(21)22)13-20-25( 23,24)16-7-5-4-6-8-16/h4- 12,20H,3,13H2,1-2H3; ZRTFSGAREQNMFJ-UHFFFAOYSA-N |
CCN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc 3)ccc12; CCN1c2ccc(cc2C(=CC1=O)C)CNS(=O) (=O)c3ccccc3 |
~{N}-[(1-ethyl-4-methyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide |
| 30936 |  OE4 CHEMBL4546918 |
4 | C24 H20 N4 O3 | InChI=1S/C24H20N4O3/c29-2 2-20-5-1-2-6-21(20)23(30) 28(22)13-16-7-9-19(10-8-1 6)26-24(31)27-14-18(15-27 )17-4-3-11-25-12-17/h1-12 ,18H,13-15H2,(H,26,31); BXJQNJNBPGVHBT-UHFFFAOYSA-N |
c1cncc(c1)C5CN(C(Nc2ccc(cc2)CN3C(c4c(C3= O)cccc4)=O)=O)C5; c1ccc2c(c1)C(=O)N(C2=O )Cc3ccc(cc3)NC(=O)N4CC(C4)c5cccnc5; O=C( Nc1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N4CC(C4) c5cccnc5 |
N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide |
| 30937 |  OE5 CHEMBL4441119 |
1 | C32 H33 N7 O2 | InChI=1S/C32H33N7O2/c1-21 -10-16-25(17-11-21)38-28( 18-27(37-38)32(2,3)4)36-3 0(40)23-14-12-22(13-15-23 )19-34-31(41)26-20-35-39( 29(26)33)24-8-6-5-7-9-24/ h5-18,20H,19,33H2,1-4H3,( H,34,41)(H,36,40); QFGZYEFHTBOJHO-UHFFFAOYSA-N |
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)c3cc c(cc3)CNC(=O)c4cnn(c4N)c5ccccc5; Cc1ccc( cc1)n2nc(cc2NC(=O)c3ccc(CNC(=O)c4cnn(c4N )c5ccccc5)cc3)C(C)(C)C |
5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide; MCP-81 |
| 30938 |  OE6 |
2 | C14 H11 Cl N4 O | InChI=1S/C14H11ClN4O/c15- 11-5-3-4-10(8-11)9-14(20) 17-19-13-7-2-1-6-12(13)16 -18-19/h1-8H,9H2,(H,17,20 ); OYXJREXTFZDGLT-UHFFFAOYSA-N |
c1ccc2c(c1)nnn2NC(=O)Cc3cccc(c3)Cl; Clc1 cccc(CC(=O)Nn2nnc3ccccc23)c1; Clc1cccc(c 1)CC(=O)Nn1nnc2ccccc21 |
N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide |
| 30939 |  OE7 CHEMBL4591345 |
9 | C21 H16 Cl N5 O4 | InChI=1S/C21H16ClN5O4/c22 -13-5-6-14(20(30)31)15(8- 13)25-18(28)11-3-1-10(2-4 -11)7-12-9-24-17-16(12)19 (29)27-21(23)26-17/h1-6,8 -9H,7H2,(H,25,28)(H,30,31 )(H4,23,24,26,27,29); OBHYLCXTIVOOGV-UHFFFAOYSA-N |
N=2c1ncc(c1C(=O)NC=2N)Cc3ccc(cc3)C(=O)Nc 4cc(Cl)ccc4C(O)=O; NC1=Nc2[nH]cc(Cc3ccc( cc3)C(=O)Nc4cc(Cl)ccc4C(O)=O)c2C(=O)N1; c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O) Nc4cc(ccc4C(=O)O)Cl |
2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid |
| 30940 |  OE8 CHEMBL4740565 |
1 | C34 H37 F N6 O3 | InChI=1S/C34H37FN6O3/c35- 26-16-18-27(19-17-26)39-3 4(44)30(20-13-23-7-3-1-4- 8-23)40-32(42)25-14-11-24 (12-15-25)21-37-33(43)29- 22-38-41(31(29)36)28-9-5- 2-6-10-28/h2,5-6,9-12,14- 19,22-23,30H,1,3-4,7-8,13 ,20-21,36H2,(H,37,43)(H,3 9,44)(H,40,42)/t30-/m0/s1; DRRUHOOICOBDHW-PMERELPUSA-N |
c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(= O)NC(CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N; Nc1 n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3 CCCCC3)C(=O)Nc4ccc(F)cc4)c5ccccc5; c1ccc (cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C @@H](CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N; Nc1 n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CC CCC3)C(=O)Nc4ccc(F)cc4)c5ccccc5 |
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide; SR348 |
| 30941 |  OE9 |
8 | C36 H36 N4 O5 Zn | InChI=1S/C36H37N4O5.Zn/c1 -9-20-16(3)23-13-25-18(5) 22(11-12-29(41)44-7)33(39 -25)31-32(36(43)45-8)35(4 2)30-19(6)26(40-34(30)31) 15-28-21(10-2)17(4)24(38- 28)14-27(20)37-23;/h9,13- 15,18,22,32H,1,10-12H2,2- 8H3,(H-,37,38,39,40,42);/ q-1;+2/p-1/t18-,22+,32+;/ m0./s1; KSFOOHVZTTVNHW-PIFGRXHESA-M |
O=C(OC)CCC1C(C)C2=Cc3c(C)c(C=C)c4C=C5C(C )=C(CC)C=6C=C7C(C)=C8C(=O)C(C9=C8N7[Zn]( N2=C91)(n34)N5=6)C(=O)OC; CCC1=C(C2=Cc3c (c(c4n3[Zn]56[N]2=C1C=C7N5C8=C([C@H](C(= O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@ H]9CCC(=O)OC)C)C)C=C)C; CCC1=C(C2=Cc3c(c (c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C 7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OC)C) C)C=C)C; CCC1=C(C)C2=Cc3n4[Zn][N@@]5C(=C C1=N2)C(=C6C(=O)[C@H](C(=O)OC)C(=C56)C7= NC(=Cc4c(C)c3C=C)[C@@H](C)[C@H]7CCC(=O)O C)C; CCC1=C(C)C2=Cc3n4[Zn][N]5C(=CC1=N2) C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4 c(C)c3C=C)[CH](C)[CH]7CCC(=O)OC)C |
[methyl 9-ethenyl-14-ethyl-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc |
| 30942 |  OEA CHEMBL4476613 |
5 | C22 H19 N5 O5 | InChI=1S/C22H19N5O5/c1-32 -14-6-7-15(21(30)31)16(9- 14)25-19(28)12-4-2-11(3-5 -12)8-13-10-24-18-17(13)2 0(29)27-22(23)26-18/h2-7, 9-10H,8H2,1H3,(H,25,28)(H ,30,31)(H4,23,24,26,27,29 ); IXAPCYKVLYGBPQ-UHFFFAOYSA-N |
c1cc(ccc1Cc3c2C(=O)NC(=Nc2nc3)N)C(Nc4cc( OC)ccc4C(O)=O)=O; COc1ccc(c(c1)NC(=O)c2c cc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O; COc1ccc(C(O)=O)c(NC(=O)c2ccc(Cc3c[nH]c4 N=C(N)NC(=O)c34)cc2)c1 |
2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid |
| 30943 |  OEB CHEMBL4745922 |
1 | C34 H39 N7 O3 | InChI=1S/C34H39N7O3/c35-3 1-29(23-39-41(31)28-9-5-2 -6-10-28)33(43)37-21-25-1 1-14-27(15-12-25)32(42)40 -30(16-13-24-7-3-1-4-8-24 )34(44)38-22-26-17-19-36- 20-18-26/h2,5-6,9-12,14-1 5,17-20,23-24,30H,1,3-4,7 -8,13,16,21-22,35H2,(H,37 ,43)(H,38,44)(H,40,42)/t3 0-/m0/s1; SYJAXZVNUTWQPV-PMERELPUSA-N |
c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(= O)NC(CCC4CCCCC4)C(=O)NCc5ccncc5)N; Nc1n( ncc1C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3CC CCC3)C(=O)NCc4ccncc4)c5ccccc5; c1ccc(cc1 )n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H] (CCC4CCCCC4)C(=O)NCc5ccncc5)N; Nc1n(ncc1 C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C (=O)NCc4ccncc4)c5ccccc5 |
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide; SR92 |
| 30944 |  OEC |
23 | Ca Mn4 O4 | InChI=1S/Ca.4Mn.4O; UFRGXNUNWYSFQE-UHFFFAOYSA-N |
[Mn][O]12[Mn]O[Mn]O[Ca]1O[Mn]2; [O@]12[C a]3[O@]4[Mn]1O5[Mn]2O3([Mn]45)[Mn]; O12[ Ca]3O4[Mn]1O5[Mn]2O3([Mn]45)[Mn] |
OXYGEN EVOLVING SYSTEM |
| 30945 |  OED CHEMBL4445927 |
9 | C23 H21 N5 O5 | InChI=1S/C23H21N5O5/c1-33 -16-7-6-14(9-18(29)30)17( 10-16)26-21(31)13-4-2-12( 3-5-13)8-15-11-25-20-19(1 5)22(32)28-23(24)27-20/h2 -7,10-11H,8-9H2,1H3,(H,26 ,31)(H,29,30)(H4,24,25,27 ,28,32); UOZOJZZNBFZRTI-UHFFFAOYSA-N |
O=C4c3c(ncc3Cc1ccc(cc1)C(=O)Nc2cc(ccc2CC (O)=O)OC)N=C(N4)N; COc1ccc(c(c1)NC(=O)c2 ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O) O; COc1ccc(CC(O)=O)c(NC(=O)c2ccc(Cc3c[nH ]c4N=C(N)NC(=O)c34)cc2)c1 |
[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid |
| 30946 |  OEE |
1 | C11 H19 N O4 | InChI=1S/C11H19NO4/c1-8(1 4)6-11(5,7-13)12-9(15)16- 10(2,3)4/h7,14H,1,6H2,2-5 H3,(H,12,15)/t11-/m0/s1; DGQSAFHPNXJDHT-NSHDSACASA-N |
CC(C)(C)OC(=O)NC(C)(CC(=C)O)C=O; CC(C)(C )OC(=O)N[C@@](C)(CC(O)=C)C=O; C[C@](CC(= C)O)(C=O)NC(=O)OC(C)(C)C; CC(C)(C)OC(=O) N[C](C)(CC(O)=C)C=O |
~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate |
| 30947 |  OEF CHEMBL289343 ZINC000013517883 |
1 | C18 H18 Br2 O4 | InChI=1S/C18H18Br2O4/c1-1 0(2)13-9-12(4-5-16(13)21) 24-18-14(19)7-11(8-15(18) 20)3-6-17(22)23/h4-5,7-10 ,21H,3,6H2,1-2H3,(H,22,23 ); DGODJDXDANWOEP-UHFFFAOYSA-N |
CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)CCC(=O)O)B r; CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)c cc1O; Brc2cc(cc(Br)c2Oc1cc(c(O)cc1)C(C)C )CCC(=O)O |
3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID |
| 30948 |  OEG CHEMBL1234950 ZINC000001648157 |
1 | C4 H6 O5 | InChI=1S/C4H6O5/c5-3(6)1- 9-2-4(7)8/h1-2H2,(H,5,6)( H,7,8); QEVGZEDELICMKH-UHFFFAOYSA-N |
OC(=O)COCC(O)=O; C(C(=O)O)OCC(=O)O; O=C( O)COCC(=O)O |
2,2'-oxydiacetic acid |
| 30949 |  OEH |
31 | C35 H43 Cl N3 O6 | InChI=1S/C35H42ClN3O6/c1- 38(2)25-10-13-28-31(22-25 )45-32-23-26(39(3)4)11-14 -29(32)33(28)30-21-24(9-1 2-27(30)35(41)42)34(40)37 -16-18-44-20-19-43-17-8-6 -5-7-15-36/h9-14,21-23H,5 -8,15-20H2,1-4H3,(H-,37,4 0,41,42)/p+1; YORHEDWUCXZZLS-UHFFFAOYSA-O |
CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O )=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C)c1; C N(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2 c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl |
[9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium |
| 30950 |  OEI CHEMBL119890 ZINC000001712826 |
1 | C9 H13 N O | InChI=1S/C9H13NO/c11-7-6- 10-8-9-4-2-1-3-5-9/h1-5,1 0-11H,6-8H2; XNIOWJUQPMKCIJ-UHFFFAOYSA-N |
OCCNCc1ccccc1; c1ccc(cc1)CNCCO | 2-[(phenylmethyl)amino]ethanol; 2-(benzylamino)ethan-1-ol |
| 30951 |  OEJ CHEMBL4562561 |
7 | C22 H17 N5 O6 | InChI=1S/C22H17N5O6/c23-2 2-26-17-16(19(29)27-22)13 (9-24-17)7-10-1-3-11(4-2- 10)18(28)25-15-8-12(20(30 )31)5-6-14(15)21(32)33/h1 -6,8-9H,7H2,(H,25,28)(H,3 0,31)(H,32,33)(H4,23,24,2 6,27,29); UKZJDHHDTGYQBX-UHFFFAOYSA-N |
c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O) Nc4cc(ccc4C(=O)O)C(=O)O; NC1=Nc2[nH]cc(C c3ccc(cc3)C(=O)Nc4cc(ccc4C(O)=O)C(O)=O)c 2C(=O)N1; C(c1ccc(cc1)Cc2cnc3c2C(=O)NC(= N3)N)(Nc4cc(C(O)=O)ccc4C(O)=O)=O |
2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid |
| 30952 |  OEK |
6 | C38 H49 Cl N3 O5 | InChI=1S/C38H48ClN3O5/c1- 38(2)33-24-27(41(3)4)12-1 5-30(33)35(31-16-13-28(42 (5)6)25-34(31)38)32-23-26 (11-14-29(32)37(44)45)36( 43)40-18-20-47-22-21-46-1 9-10-8-7-9-17-39/h11-16,2 3-25H,7-10,17-22H2,1-6H3, (H-,40,43,44,45)/p+1; BFWDBISDEDTHTG-UHFFFAOYSA-O |
CN(C)c1ccc2c(c1)C(C)(C)C3=CC(C=CC3=C2c4c c(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+]( C)C; CC1(c2cc(ccc2C(=C3C1=CC(=[N+](C)C)C =C3)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl )N(C)C)C |
4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid |
| 30953 |  OEL ZINC000263621086 |
2 | C13 H20 F N4 O7 | InChI=1S/C13H19FN4O7/c1-4 (2)12(22)16-8-7(17-18-15) 6(14)10(13(23)24)25-11(8) 9(21)5(20)3-19/h4-8,10-11 ,15,19-20H,3H2,1-2H3,(H-, 16,22,23,24)/p+1/t5-,6-,7 -,8+,10-,11+/m0/s1; UFSBEYSJWUBWLQ-JAYUSQFOSA-O |
CC(C)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1 C(=O)[C@H](CO)O)C(=O)O)F)N=[N+]=N; CC(C) C(=O)N[CH]1[CH](O[CH]([CH](F)[CH]1N=[N+] =N)C(O)=O)C(=O)[CH](O)CO; CC(C)C(=O)NC1C (C(C(OC1C(=O)C(CO)O)C(=O)O)F)N=[N+]=N; C C(C)C(=O)N[C@H]1[C@@H](O[C@@H]([C@@H](F) [C@@H]1N=[N+]=N)C(O)=O)C(=O)[C@@H](O)CO; FC1C(\N=[N+]=[N@H])C(NC(=O)C(C)C)C(OC1C (=O)O)C(=O)C(O)CO |
(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid |
| 30954 |  OEM CHEMBL291278 ZINC000000901012 |
3 | C5 H9 N O4 | InChI=1S/C5H9NO4/c1-6-3(5 (9)10)2-4(7)8/h3,6H,2H2,1 H3,(H,7,8)(H,9,10)/t3-/m1 /s1; HOKKHZGPKSLGJE-GSVOUGTGSA-N |
CN[C@H](CC(=O)O)C(=O)O; CN[C@H](CC(O)=O) C(O)=O; CNC(CC(=O)O)C(=O)O; CN[CH](CC(O) =O)C(O)=O; O=C(O)C(NC)CC(=O)O |
N-methyl-D-aspartic acid |
| 30955 |  OEN |
1 | C15 H21 N4 O5 S | InChI=1S/C15H20N4O5S/c1-7 -11(10(8(2)20)14(21)22)17 -12(15(23)24)13(7)25-9-3- 18-5-16-6-19(18)4-9/h5-10 ,12-13,20H,3-4H2,1-2H3,(H -,21,22,23,24)/p+1/t7-,8- ,10-,12+,13+/m1/s1; FWQUIKBOZBJCAG-PAMYDDKSSA-O |
CC1C(C(N=C1C(C(C)O)C(=O)O)C(=O)O)SC2Cn3c nc[n+]3C2; C[CH](O)[CH](C(O)=O)C1=N[CH]( [CH](S[CH]2Cn3cnc[n+]3C2)[CH]1C)C(O)=O; C[C@@H](O)[C@@H](C(O)=O)C1=N[C@@H]([C@@H ](S[C@H]2Cn3cnc[n+]3C2)[C@@H]1C)C(O)=O; C[C@H]1C(C(N=C1[C@@H]([C@@H](C)O)C(=O)O) C(=O)O)S[C@H]2Cn3cnc[n+]3C2 |
Biapenem Imine hydrolysis product |
| 30956 |  OEO |
1 | C24 H23 N3 O S | InChI=1S/C24H23N3OS/c1-26 (2)21-7-9-22(10-8-21)27(1 6-18-11-12-29-17-18)24(28 )13-20-15-25-14-19-5-3-4- 6-23(19)20/h3-12,14-15,17 H,13,16H2,1-2H3; NWMNITATBGAXEW-UHFFFAOYSA-N |
CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3cncc4c 3cccc4; CN(C)c1ccc(cc1)N(Cc2cscc2)C(=O)C c3cncc4ccccc34; O=C(Cc1cncc2ccccc21)N(Cc 1ccsc1)c1ccc(cc1)N(C)C |
N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide |
| 30957 |  OEP CHEMBL4451239 |
5 | C23 H19 N5 O6 | InChI=1S/C23H19N5O6/c24-2 3-27-19-18(21(32)28-23)15 (10-25-19)7-11-1-3-12(4-2 -11)20(31)26-16-8-14(22(3 3)34)6-5-13(16)9-17(29)30 /h1-6,8,10H,7,9H2,(H,26,3 1)(H,29,30)(H,33,34)(H4,2 4,25,27,28,32); FDEJWGPULAIBRF-UHFFFAOYSA-N |
c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O) Nc4cc(ccc4CC(=O)O)C(=O)O; c14c(c(cn1)Cc2 ccc(cc2)C(Nc3c(CC(O)=O)ccc(c3)C(O)=O)=O) C(=O)NC(=N4)N; NC1=Nc2[nH]cc(Cc3ccc(cc3) C(=O)Nc4cc(ccc4CC(O)=O)C(O)=O)c2C(=O)N1 |
3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid |
| 30958 |  OEQ |
1 | C15 H21 N4 O5 S | InChI=1S/C15H20N4O5S/c1-7 -11(10(8(2)20)14(21)22)17 -12(15(23)24)13(7)25-9-3- 18-5-16-6-19(18)4-9/h5-11 ,17,20H,3-4H2,1-2H3,(H-,2 1,22,23,24)/p+1/t7-,8-,10 -,11-/m1/s1; NNMZLHRXLIBHJJ-YJFSRANCSA-O |
C[C@@H](O)[C@H]([C@@H]1NC(=C(S[C@@H]2Cn3 cnc[n+]3C2)[C@@H]1C)C(O)=O)C(O)=O; CC1C( NC(=C1SC2Cn3cnc[n+]3C2)C(=O)O)C(C(C)O)C( =O)O; C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cn c[n+]3C2)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O ; C[CH](O)[CH]([CH]1NC(=C(S[CH]2Cn3cnc[n +]3C2)[CH]1C)C(O)=O)C(O)=O |
Biapenem Enamine hydrolysis product; (2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6~{R})-6,7-dihydro-5~{H}-pyrazolo[1,2 -a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
| 30959 |  OER |
4 | Mn4 O5 Sr | InChI=1S/4Mn.5O.Sr/q;;;;; ;;-1;+1;+2; CSESTIVEXPKVIG-UHFFFAOYSA-N |
O1[Mn][O-]2|3[Mn]4|O5[Sr++]2|O6[Mn]1|3[O +]4[Mn]56; O1[Mn][O-]23[Mn]14O5[Sr+2]2O6 [Mn]5[O+]4[Mn]36 |
SR-MN4-O5 CLUSTER; Mn4SrOt5-cluster |
| 30960 |  OES DB02415 ZINC000014880337 |
0 | C10 H22 O2 S | InChI=1S/C10H22O2S/c1-2-3 -4-5-6-7-9-13(12)10-8-11/ h11H,2-10H2,1H3/t13-/m1/s 1; IRJUEMKMQDEOTQ-CYBMUJFWSA-N |
O=S(CCCCCCCC)CCO; CCCCCCCC[S@@](=O)CCO; CCCCCCCC[S](=O)CCO; CCCCCCCCS(=O)CCO |
N-OCTYL-2-HYDROXYETHYL SULFOXIDE |
| 30961 |  OET |
0 | C2 H5 | InChI=1/C2H6/c1-2/h1-2H3; OTMSDBZUPAUEDD-UHFFFAOYAK |
C[CH2]; [CH2]C; CC | ETHYL GROUP |
| 30962 |  OEU CHEMBL1271031 ZINC000064528240 |
4 | C31 H36 Cl N3 O4 | InChI=1S/C31H36ClN3O4/c1- 21-10-6-7-13-24(21)17-19- 28(37)35-29(22(2)36)31(39 )34-27(18-16-23-11-4-3-5- 12-23)30(38)33-20-25-14-8 -9-15-26(25)32/h3-15,22,2 7,29,36H,16-20H2,1-2H3,(H ,33,38)(H,34,39)(H,35,37) /t22-,27+,29+/m1/s1; PBDVPZRRBJJONI-RVBRUHEGSA-N |
C[CH](O)[CH](NC(=O)CCc1ccccc1C)C(=O)N[CH ](CCc2ccccc2)C(=O)NCc3ccccc3Cl; Cc1ccccc 1CCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]( CCc2ccccc2)C(=O)NCc3ccccc3Cl; C[C@@H](O) [C@H](NC(=O)CCc1ccccc1C)C(=O)N[C@@H](CCc 2ccccc2)C(=O)NCc3ccccc3Cl; Clc1ccccc1CNC (=O)C(NC(=O)C(NC(=O)CCc2ccccc2C)C(O)C)CC c3ccccc3; Cc1ccccc1CCC(=O)NC(C(C)O)C(=O) NC(CCc2ccccc2)C(=O)NCc3ccccc3Cl |
N-{(2S)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[3-(2-methylphenyl)propanoyl]-L-threoninamide |
| 30963 |  OEV CHEMBL1234952 DB08321 ZINC000014175217 |
1 | C15 H29 N O4 | InChI=1S/C15H29NO4/c1-2-3 -4-5-6-7-8-16-12-9-11(10- 17)13(18)15(20)14(12)19/h 9,12-20H,2-8,10H2,1H3/t12 -,13-,14+,15+/m1/s1; UPZUHYMBTUUPML-KBXIAJHMSA-N |
OC1C(=CC(NCCCCCCCC)C(O)C1O)CO; CCCCCCCCN [CH]1C=C(CO)[CH](O)[CH](O)[CH]1O; CCCCCC CCN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1 O; CCCCCCCCN[C@@H]1C=C([C@H]([C@@H]([C@H ]1O)O)O)CO; CCCCCCCCNC1C=C(C(C(C1O)O)O)C O |
(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol |
| 30964 |  OEW |
1 | C30 H43 N5 O7 | InChI=1S/C30H43N5O7/c1-30 (2,3)42-29(41)34-21-10-7- 15-35(28(21)40)23(16-18-8 -5-4-6-9-18)26(38)33-22(1 7-19-13-14-31-25(19)37)24 (36)27(39)32-20-11-12-20/ h7,10,14-15,18-20,22-24,3 6H,4-6,8-9,11-13,16-17H2, 1-3H3,(H,32,39)(H,33,38)( H,34,41)/t19-,22-,23-,24+ /m0/s1; SFLPCGWJLKRMNL-ZNEWLNCYSA-N |
CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2C CCCC2)C(=O)N[C@@H](C[C@@H]3CC=NC3=O)[C@H ](C(=O)NC4CC4)O; CC(C)(C)OC(=O)NC1=CC=CN (C1=O)C(CC2CCCCC2)C(=O)NC(CC3CC=NC3=O)C( C(=O)NC4CC4)O; CC(C)(C)OC(=O)NC1=CC=CN([ CH](CC2CCCCC2)C(=O)N[CH](C[CH]3CC=NC3=O) [CH](O)C(=O)NC4CC4)C1=O; CC(C)(C)OC(=O)N C1=CC=CN([C@@H](CC2CCCCC2)C(=O)N[C@@H](C [C@@H]3CC=NC3=O)[C@@H](O)C(=O)NC4CC4)C1= O |
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate; Tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate |
| 30965 |  OEX |
482 | Ca Mn4 O5 | InChI=1S/Ca.4Mn.5O; SEXWDHMBWJEXOJ-UHFFFAOYSA-N |
O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn@] 456; O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O [Mn]456; O1[Mn]O23[Mn]14O5[Ca]2O6[Mn]5O4 [Mn]36; O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O @@]6[Mn]5[O@]4[Mn]36 |
CA-MN4-O5 CLUSTER |
| 30966 |  OEY |
111 | Ca Mn4 O6 | InChI=1S/Ca.4Mn.O2.4O/c;; ;;;1-2;;;;/q;;;;+1;-1;;;;; VXLJVOKMVCJEPF-UHFFFAOYSA-N |
O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3; O1[Mn]O[O]23[Ca]O[Mn]2(O[Mn]1)O[Mn]3; O1 [Mn]O[O]23[Ca]O[Mn@]2(O[Mn]1)O[Mn]3 |
CA-MN4-O6 CLUSTER |
| 30967 |  OEZ |
1 | C21 H21 N3 O3 | InChI=1S/C21H21N3O3/c1-13 (25)18-12-17(20-22-9-4-10 -24(18)20)16-11-14(7-8-19 (16)27-2)21(26)23-15-5-3- 6-15/h4,7-12,15H,3,5-6H2, 1-2H3,(H,23,26); ZVDRWJICVNPHJL-UHFFFAOYSA-N |
COc1ccc(cc1c2cc(n3cccnc23)C(C)=O)C(=O)NC 4CCC4; CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC) C(=O)NC4CCC4 |
~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide |
| 30968 |  OF1 |
0 | Fe H2 O | InChI=1/Fe.H2O/h;1H2/q+2; /rFeH2O/c1-2/h2H2/q+2; ITHCMTBUBRIKKJ-VLFFPDBTAW |
[OH2][Fe+2]; O|[Fe++] | FERROUS ION, 1 WATER COORDINATED |
| 30969 |  OF2 |
0 | Fe2 O | InChI=1/2Fe.O/q2*+3;/rFe2 O/c1-3-2/q+6; PNEJPKDVTTUZDF-XKASHAQCAK |
O([Fe+3])[Fe+3]; [Fe+3]O[Fe+3] | 2 FERRIC ION, 1 BRIDGING OXYGEN |
| 30970 |  OF3 |
0 | Fe H2 O | InChI=1/Fe.H2O/h;1H2/q+3; /rFeH2O/c1-2/h2H2/q+3; NJWYTAHMQKIIQQ-HKNNVPFLAS |
[OH2][Fe+3]; O|[Fe+3] | FERRIC ION, 1 WATER COORDINATED |
| 30971 |  OF4 CHEMBL4570248 |
5 | C22 H19 N5 O4 | InChI=1S/C22H19N5O4/c23-2 2-26-18-17(20(29)27-22)15 (11-24-18)9-12-5-7-13(8-6 -12)19(28)25-10-14-3-1-2- 4-16(14)21(30)31/h1-8,11H ,9-10H2,(H,25,28)(H,30,31 )(H4,23,24,26,27,29); BBGUOTHUKQSSGG-UHFFFAOYSA-N |
c1ccc(c(c1)CNC(=O)c2ccc(cc2)Cc3c[nH]c4c3 C(=O)NC(=N4)N)C(=O)O; NC1=Nc2[nH]cc(Cc3c cc(cc3)C(=O)NCc4ccccc4C(O)=O)c2C(=O)N1; c1cc(ccc1C(NCc2ccccc2C(O)=O)=O)Cc3c4c(nc 3)N=C(NC4=O)N |
2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid |
| 30972 |  OF5 |
3 | C17 H16 N2 O3 | InChI=1S/C17H16N2O3/c1-11 (20)15-10-14(17-18-7-4-8- 19(15)17)13-9-12(21-2)5-6 -16(13)22-3/h4-10H,1-3H3; VNCOLZXZXMUDIT-UHFFFAOYSA-N |
COc1ccc(OC)c(c1)c2cc(n3cccnc23)C(C)=O; C C(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)OC |
1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone |
| 30973 |  OF6 ZINC000012370330 |
1 | C11 H11 Cl N2 S | InChI=1S/C11H11ClN2S/c1-1 3-6-10-7-15-11(14-10)8-3- 2-4-9(12)5-8/h2-5,7,13H,6 H2,1H3; YHQACXKNKUPSSA-UHFFFAOYSA-N |
CNCc1csc(n1)c2cccc(Cl)c2; CNCc1csc(n1)c2 cccc(c2)Cl |
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine; 1-(2-(3-chlorophenyl)thiazol-4-yl)-N-methylmethanamine |
| 30974 |  OF7 CHEMBL4447254 |
9 | C22 H19 N5 O4 | InChI=1S/C22H19N5O4/c23-2 2-26-19-18(21(31)27-22)15 (11-24-19)9-12-5-7-13(8-6 -12)20(30)25-16-4-2-1-3-1 4(16)10-17(28)29/h1-8,11H ,9-10H2,(H,25,30)(H,28,29 )(H4,23,24,26,27,31); NCEMLZMBZDJVMM-UHFFFAOYSA-N |
NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4ccccc4C C(O)=O)c2C(=O)N1; c1ccc(c(c1)CC(=O)O)NC( =O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N; N1=C(NC(=O)c2c1ncc2Cc3ccc(cc3)C(=O)Nc4cc ccc4CC(=O)O)N |
[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid |
| 30975 |  OF8 |
2 | C14 H11 N3 O | InChI=1S/C14H11N3O/c1-10( 18)13-9-11(12-5-2-3-6-15- 12)14-16-7-4-8-17(13)14/h 2-9H,1H3; LNUJODOPWTZPCA-UHFFFAOYSA-N |
CC(=O)c1cc(c2n1cccn2)c3ccccn3; CC(=O)c1c c(c2ccccn2)c3ncccn13 |
1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone |
| 30976 |  OF9 |
1 | C28 H32 F4 N4 O4 | InChI=1S/C28H32F4N4O4/c29 -27(30)11-9-19(10-12-27)2 6(40)36-17-28(31,32)15-22 (36)24(38)35-21(14-18-6-2 -1-3-7-18)23(37)25(39)34- 16-20-8-4-5-13-33-20/h1-8 ,13,19,21-23,37H,9-12,14- 17H2,(H,34,39)(H,35,38)/t 21-,22-,23+/m1/s1; QXLYQUMSFSBBGE-ZLNRFVROSA-N |
O[C@@H]([C@@H](Cc1ccccc1)NC(=O)[C@H]2CC( F)(F)CN2C(=O)C3CCC(F)(F)CC3)C(=O)NCc4ccc cn4; c1ccc(cc1)CC(C(C(=O)NCc2ccccn2)O)NC (=O)C3CC(CN3C(=O)C4CCC(CC4)(F)F)(F)F; c1 ccc(cc1)C[C@H]([C@@H](C(=O)NCc2ccccn2)O) NC(=O)[C@H]3CC(CN3C(=O)C4CCC(CC4)(F)F)(F )F; O[CH]([CH](Cc1ccccc1)NC(=O)[CH]2CC(F )(F)CN2C(=O)C3CCC(F)(F)CC3)C(=O)NCc4cccc n4 |
(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide |
| 30977 |  OFB ZINC000584905682 |
2 | C24 H19 F O6 S | InChI=1S/C24H19FO6S/c25-1 6-2-1-3-19(12-16)31-32(28 ,29)21-13-20-22(14-4-8-17 (26)9-5-14)23(24(21)30-20 )15-6-10-18(27)11-7-15/h1 -12,20-21,24,26-27H,13H2/ t20-,21+,24+/m0/s1; PJRYBICUCUOQQX-YZUZCNPQSA-N |
Oc1ccc(cc1)C2=C([C@@H]3O[C@H]2C[C@H]3[S] (=O)(=O)Oc4cccc(F)c4)c5ccc(O)cc5; c1cc(c c(c1)F)OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc 4)O)c5ccc(cc5)O; Oc1ccc(cc1)C2=C([CH]3O[ CH]2C[CH]3[S](=O)(=O)Oc4cccc(F)c4)c5ccc( O)cc5; c1(O)ccc(cc1)C2=C(C3OC2CC3S(=O)(O c4cccc(c4)F)=O)c5ccc(cc5)O; c1cc(cc(c1)F )OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3) c4ccc(cc4)O)c5ccc(cc5)O |
3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
| 30978 |  OFC |
0 | C9 H13 F N3 O7 P | InChI=1S/C9H13FN3O7P/c10- 6-7(14)4(3-19-21(16,17)18 )20-8(6)13-2-1-5(11)12-9( 13)15/h1-2,4,6-8,14H,3H2, (H2,11,12,15)(H2,16,17,18 )/t4-,6-,7-,8-/m0/s1; KTAATIGPZHTGOP-PSQAKQOGSA-N |
NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)= O)[CH](O)[CH]2F; C1=CN(C(=O)N=C1N)C2C(C( C(O2)COP(=O)(O)O)O)F; O=P(O)(O)OCC1OC(N2 C=CC(N)=NC2=O)C(F)C1O; C1=CN(C(=O)N=C1N) [C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O )O)F; NC1=NC(=O)N(C=C1)[C@H]2O[C@@H](CO[ P](O)(O)=O)[C@H](O)[C@@H]2F |
4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one |
| 30979 |  OFD CHEMBL4579109 |
5 | C23 H18 N6 O4 | InChI=1S/C23H18N6O4/c24-1 0-13-3-6-15(9-18(30)31)17 (8-13)27-21(32)14-4-1-12( 2-5-14)7-16-11-26-20-19(1 6)22(33)29-23(25)28-20/h1 -6,8,11H,7,9H2,(H,27,32)( H,30,31)(H4,25,26,28,29,3 3); ZVNRPTCYZJBJNB-UHFFFAOYSA-N |
O=C1c2c(N=C(N1)N)ncc2Cc3ccc(cc3)C(=O)Nc4 cc(ccc4CC(=O)O)C#N; NC1=Nc2[nH]cc(Cc3ccc (cc3)C(=O)Nc4cc(ccc4CC(O)=O)C#N)c2C(=O)N 1; c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C( =O)Nc4cc(ccc4CC(=O)O)C#N |
[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid |
| 30980 |  OFE |
40 | Fe O | InChI=1S/Fe.O; UQSXHKLRYXJYBZ-UHFFFAOYSA-N |
O=[Fe]; [Fe]=O | Iron(II) oxide; ferrous oxide |
| 30981 |  OFF CHEMBL1234956 DB08322 ZINC000013339564 |
1 | C23 H20 O10 | InChI=1S/C23H20O10/c24-16 -7-1-14(2-8-16)5-11-20(28 )32-18(13-19(26)27)22(23( 30)31)33-21(29)12-6-15-3- 9-17(25)10-4-15/h1-12,18, 22,24-25H,13H2,(H,26,27)( H,30,31)/b11-5+,12-6+/t18 -,22+/m0/s1; VJLMRHSHSNLOGC-NOPZTHQXSA-N |
O=C(O)C(OC(=O)\C=C\c1ccc(O)cc1)C(OC(=O)/ C=C/c2ccc(O)cc2)CC(=O)O; OC(=O)C[C@H](OC (=O)/C=C/c1ccc(O)cc1)[C@@H](OC(=O)\C=C\c 2ccc(O)cc2)C(O)=O; OC(=O)C[CH](OC(=O)C=C c1ccc(O)cc1)[CH](OC(=O)C=Cc2ccc(O)cc2)C( O)=O; c1cc(ccc1C=CC(=O)OC(CC(=O)O)C(C(=O )O)OC(=O)C=Cc2ccc(cc2)O)O; c1cc(ccc1\C=C \C(=O)O[C@@H](CC(=O)O)[C@H](C(=O)O)OC(=O )\C=C\c2ccc(cc2)O)O |
2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID; 2,3-BIS((E)-3-(4-HYDROXYPHENYL)ACRYLOYLOXY)PENTANEDIOIC ACID |
| 30982 |  OFG CHEMBL3128074 ZINC000095921382 |
1 | C19 H18 F N7 O | InChI=1S/C19H18FN7O/c1-11 -16(10-23-26-11)13-7-18(1 9(21)22-9-13)28-12(2)15-8 -14(20)3-4-17(15)27-24-5- 6-25-27/h3-10,12H,1-2H3,( H2,21,22)(H,23,26)/t12-/m 1/s1; PYGCMVOPOMFFCX-GFCCVEGCSA-N |
C[CH](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc(F)ccc 3n4nccn4; C[C@@H](Oc1cc(cnc1N)c2c[nH]nc2 C)c3cc(F)ccc3n4nccn4; Cc1c(c[nH]n1)c2cc( c(nc2)N)OC(C)c3cc(ccc3n4nccn4)F; Cc1c(c[ nH]n1)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4n ccn4)F; Fc1cc(c(cc1)n2nccn2)C(Oc4cc(c3cn nc3C)cnc4N)C |
3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine |
| 30983 |  OFH |
5 | C23 H24 Cl F6 N3 O5 S | InChI=1S/C23H24ClF6N3O5S/ c1-12(22(25,26)27)38-13-2 -3-17(15(24)8-13)39(36,37 )14-9-16(18(34)32-20(11-3 1)4-5-20)33(10-14)19(35)2 1(6-7-21)23(28,29)30/h2-3 ,8,11-12,14,16,31H,4-7,9- 10H2,1H3,(H,32,34)/b31-11 +/t12-,14+,16-/m0/s1; FXRUMLCPKBCVCA-YDWYZIHQSA-N |
[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C( =O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl) O[C@@H](C)C(F)(F)F; CC(C(F)(F)F)Oc1ccc(c (c1)Cl)S(=O)(=O)C2CC(N(C2)C(=O)C3(CC3)C( F)(F)F)C(=O)NC4(CC4)C=N; C[C@H](Oc1ccc(c (Cl)c1)[S](=O)(=O)[C@@H]2C[C@H](N(C2)C(= O)C3(CC3)C(F)(F)F)C(=O)NC4(CC4)C=N)C(F)( F)F; O=S(=O)(c1ccc(OC(C)C(F)(F)F)cc1Cl)C 4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C(F)( F)F)CC3)C4; C[CH](Oc1ccc(c(Cl)c1)[S](=O) (=O)[CH]2C[CH](N(C2)C(=O)C3(CC3)C(F)(F)F )C(=O)NC4(CC4)C=N)C(F)(F)F |
(4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide |
| 30984 |  OFI CHEMBL1082237 ZINC000044460258 |
1 | C17 H17 N3 O2 | InChI=1S/C17H17N3O2/c1-2- 3-16(22)18-17-14-9-6-12(1 0-15(14)19-20-17)11-4-7-1 3(21)8-5-11/h4-10,21H,2-3 H2,1H3,(H2,18,19,20,22); VCIZMGNKKFEEHA-UHFFFAOYSA-N |
CCCC(=O)Nc1n[nH]c2cc(ccc12)c3ccc(O)cc3; CCCC(=O)Nc1c2ccc(cc2[nH]n1)c3ccc(cc3)O |
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide |
| 30985 |  OFJ CHEMBL4454174 |
5 | C22 H18 N6 O5 | InChI=1S/C22H18N6O5/c23-1 7(29)12-5-6-14(21(32)33)1 5(8-12)26-19(30)11-3-1-10 (2-4-11)7-13-9-25-18-16(1 3)20(31)28-22(24)27-18/h1 -6,8-9H,7H2,(H2,23,29)(H, 26,30)(H,32,33)(H4,24,25, 27,28,31); ZFQOKUXSWWJOFS-UHFFFAOYSA-N |
NC(=O)c1ccc(C(O)=O)c(NC(=O)c2ccc(Cc3c[nH ]c4N=C(N)NC(=O)c34)cc2)c1; c14c(c(cn1)Cc 2ccc(cc2)C(Nc3c(C(=O)O)ccc(C(N)=O)c3)=O) C(NC(=N4)N)=O; c1cc(ccc1Cc2c[nH]c3c2C(=O )NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)N |
2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid |
| 30986 |  OFK |
2 | C15 H12 N2 O | InChI=1S/C15H12N2O/c1-11( 18)14-10-13(12-6-3-2-4-7- 12)15-16-8-5-9-17(14)15/h 2-10H,1H3; FPBCLTMMKANZAZ-UHFFFAOYSA-N |
CC(=O)c1cc(c2n1cccn2)c3ccccc3; CC(=O)c1c c(c2ccccc2)c3ncccn13 |
1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone |
| 30987 |  OFL DB02179 ZINC000002046924 |
1 | C14 H10 F3 N O2 | InChI=1S/C14H10F3NO2/c15- 14(16,17)10-6-2-4-8-12(10 )18-11-7-3-1-5-9(11)13(19 )20/h1-8,18H,(H,19,20); ONKHJNFXJDEMNQ-UHFFFAOYSA-N |
FC(F)(F)c2ccccc2Nc1c(C(=O)O)cccc1; c1ccc (c(c1)C(=O)O)Nc2ccccc2C(F)(F)F; OC(=O)c1 ccccc1Nc2ccccc2C(F)(F)F |
O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID |
| 30988 |  OFM ZINC000098209262 |
0 | C24 H24 N4 O6 | InChI=1S/C24H24N4O6/c1-14 -21(27-24(33,34-14)19(25) 12-15-5-3-2-4-6-15)22-26- 18(23(32)28(22)13-20(30)3 1)11-16-7-9-17(29)10-8-16 /h2-11,14,19,29,33H,12-13 ,25H2,1H3,(H,30,31)/b18-1 1-/t14-,19+,24-/m1/s1; WUYHWZHRZZMOJP-MQDAGFNLSA-N |
C[C@@H]1C(=N[C@](O1)([C@H](Cc2ccccc2)N)O )C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O; C[CH]1O[C](O)(N=C1C2=NC(=Cc3ccc(O)cc3)C( =O)N2CC(O)=O)[CH](N)Cc4ccccc4; CC1C(=NC( O1)(C(Cc2ccccc2)N)O)C3=NC(=Cc4ccc(cc4)O) C(=O)N3CC(=O)O; C[C@H]1O[C@@](O)(N=C1C2= N\C(=C/c3ccc(O)cc3)C(=O)N2CC(O)=O)[C@@H] (N)Cc4ccccc4; O=C(O)CN2C(=N/C(=C\c1ccc(O )cc1)C2=O)C3=NC(O)(OC3C)C(N)Cc4ccccc4 |
[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid; PEPTIDE DERIVED CHROMOPHORE |
| 30989 |  OFN |
2 | C41 H72 N7 O18 P3 S | InChI=1S/C41H72N7O18P3S/c 1-4-5-6-7-8-9-10-11-12-13 -14-15-16-17-18-19-29(49) 24-32(51)70-23-22-43-31(5 0)20-21-44-39(54)36(53)41 (2,3)26-63-69(60,61)66-68 (58,59)62-25-30-35(65-67( 55,56)57)34(52)40(64-30)4 8-28-47-33-37(42)45-27-46 -38(33)48/h27-28,30,34-36 ,40,52-53H,4-26H2,1-3H3,( H,43,50)(H,44,54)(H,58,59 )(H,60,61)(H2,42,45,46)(H 2,55,56,57)/t30-,34-,35-, 36+,40-/m1/s1; FYBVHNZJDVUVLJ-IBYUJNRCSA-N |
CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCN C(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C (C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCC CCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(= O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O) OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O) =O)n2cnc3c(N)ncnc23; CCCCCCCCCCCCCCCCCC( =O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C) CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH] (O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23; C CCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC (=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[ C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc 3N)O)OP(=O)(O)O)O |
~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate |
| 30990 |  OFO |
7 | Fe2 H O2 | InChI=1S/2Fe.H2O.O/h;;1H2 ;/q;+1;;/p-1; HLBQEWFJZLSCMX-UHFFFAOYSA-M |
O[Fe]O[Fe] | HYDROXY DIIRON-OXO MOIETY |
| 30991 |  OFQ |
2 | C11 H19 N O | InChI=1S/C11H19NO/c12-11( 6-13)9-2-7-1-8(4-9)5-10(1 1)3-7/h7-10,13H,1-6,12H2/ t7-,8+,9-,10+,11-; JNAKWHJSIJOZFK-HQUNYVMJSA-N |
NC1(CO)C2CC3CC(C2)CC1C3; C1C2CC3CC1CC(C2 )C3(CO)N |
(2-azanyl-2-adamantyl)methanol |
| 30992 |  OFR |
2 | C21 H23 N3 O4 | InChI=1S/C21H23N3O4/c1-5- 11-28-20(26)15-13(4)22-18 -17(19(25)23-21(27)24(18) 6-2)16(15)14-9-7-12(3)8-1 0-14/h5,7-10,16,22H,1,6,1 1H2,2-4H3,(H,23,25,27)/t1 6-/m1/s1; WWSMMSQOAGMCFL-MRXNPFEDSA-N |
O=C(OCC=C)C1=C(C)NC2=C(C1c1ccc(C)cc1)C(= O)NC(=O)N2CC; CCN1C2=C([C@@H](C(=C(N2)C) C(=O)OCC=C)c3ccc(cc3)C)C(=O)NC1=O; CCN1C (=O)NC(=O)C2=C1NC(=C([CH]2c3ccc(C)cc3)C( =O)OCC=C)C; CCN1C2=C(C(C(=C(N2)C)C(=O)OC C=C)c3ccc(cc3)C)C(=O)NC1=O; CCN1C(=O)NC( =O)C2=C1NC(=C([C@H]2c3ccc(C)cc3)C(=O)OCC =C)C |
prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| 30993 |  OFT ZINC000095921240 |
2 | C20 H20 N4 O4 S | InChI=1S/C20H20N4O4S/c1-3 -24(4-2)29(27,28)12-9-10- 16-14(11-12)17(20(25)22-1 6)19-18(23-26)13-7-5-6-8- 15(13)21-19/h5-11,21,26H, 3-4H2,1-2H3,(H,22,25)/b19 -17-,23-18+; ZZYLNEHSVPINPK-LCLDVOFVSA-N |
CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=C3C(=NO)c4 ccccc4N3)C(=O)N2; CCN(CC)S(=O)(=O)c1ccc2 c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2 ; CCN(CC)[S](=O)(=O)c1ccc2NC(=O)C(=C3Nc4 ccccc4C3=NO)c2c1; O=S(=O)(c1cc\2c(cc1)NC (=O)C/2=C4\C(=N\O)\c3ccccc3N4)N(CC)CC; C CN(CC)[S](=O)(=O)c1ccc2NC(=O)C(=C/3Nc4cc ccc4C/3=N/O)/c2c1 |
(3Z)-N,N-diethyl-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide |
| 30994 |  OFU |
5 | C23 H28 N7 O2 S | InChI=1S/C23H27N7O2S/c1-1 3(15-6-5-11-30(15)3)31-17 -8-10-26-20(27-17)21-28-2 2(32-29-21)23(2)9-4-7-16- 18(23)14(12-24)19(25)33-1 6/h8,10,13,15H,4-7,9,11,2 5H2,1-3H3/p+1/t13-,15-,23 -/m0/s1; MIUFORKWYHBPRW-HMFCALDFSA-O |
CC(C1CCC[NH+]1C)Oc2ccnc(n2)c3nc(on3)C4(C CCc5c4c(c(s5)N)C#N)C; C[C@@H]([C@@H]1CCC [NH+]1C)Oc2ccnc(n2)c3nc(on3)[C@]4(CCCc5c 4c(c(s5)N)C#N)C; C[C@H](Oc1ccnc(n1)c2noc (n2)[C@@]3(C)CCCc4sc(N)c(C#N)c34)[C@@H]5 CCC[NH+]5C; C[CH](Oc1ccnc(n1)c2noc(n2)[C ]3(C)CCCc4sc(N)c(C#N)c34)[CH]5CCC[NH+]5C |
(4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile |
| 30995 |  OFW |
1 | C26 H35 N5 O6 S | InChI=1S/C26H35N5O6S/c1-2 5(24(34)29-14-26(27)18-9- 16-8-17(11-18)12-19(26)10 -16)15-30(6-7-37-25)38(35 ,36)20-2-3-21(28-13-20)31 -22(32)4-5-23(31)33/h2-3, 13,16-19H,4-12,14-15,27H2 ,1H3,(H,29,34)/t16-,17+,1 8-,19+,25-,26-/m1/s1; ATTLLTNWPUGOFW-CBZUIJCKSA-N |
C[C@@]1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(= O)CCC3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N; C C1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(=O)CCC 3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N; C[C]1( CN(CCO1)[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC3 =O)C(=O)NCC4(N)C5CC6CC(C5)CC4C6; C[C@@]1 (CN(CCO1)[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC 3=O)C(=O)NCC4(N)C5CC6CC(C5)CC4C6 |
(2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide |
| 30996 |  OFX |
1 | C20 H21 N7 O | InChI=1S/C20H21N7O/c1-25( 2)16-7-9-17(10-8-16)26(13 -15-11-12-21-22-15)20(28) 14-27-19-6-4-3-5-18(19)23 -24-27/h3-12H,13-14H2,1-2 H3,(H,21,22); NAUKDTRKBNSCDS-UHFFFAOYSA-N |
O=C(Cn1nnc2ccccc21)N(Cc1ccn[NH]1)c1ccc(c c1)N(C)C; CN(C)c1ccc(cc1)N(Cc2[nH]ncc2)C (=O)Cn3nnc4ccccc34; CN(C)c1ccc(cc1)N(Cc2 ccn[nH]2)C(=O)Cn3c4ccccc4nn3 |
2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide |
| 30997 |  OFZ |
1 | C14 H25 N3 | InChI=1S/C14H25N3/c1-2-16 -14(15)17-8-13-11-4-9-3-1 0(6-11)7-12(13)5-9/h9-13H ,2-8H2,1H3,(H3,15,16,17)/ t9-,10+,11-,12+,13-; GKPMCHKJTWWYLH-FOPUMGAHSA-N |
CCNC(=N)NCC1C2CC3CC(C2)CC1C3; [H]/N=C(\N CC)/NCC1C2CC3CC(C2)CC1C3 |
1-(2-adamantylmethyl)-3-ethyl-guanidine |
| 30998 |  OG1 CHEMBL4565065 |
5 | C22 H16 N6 O4 | InChI=1S/C22H16N6O4/c23-9 -12-3-6-15(21(31)32)16(8- 12)26-19(29)13-4-1-11(2-5 -13)7-14-10-25-18-17(14)2 0(30)28-22(24)27-18/h1-6, 8,10H,7H2,(H,26,29)(H,31, 32)(H4,24,25,27,28,30); MEWIMDIPLNOYGN-UHFFFAOYSA-N |
c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O) Nc4cc(ccc4C(=O)O)C#N; c14c(c(cn1)Cc2ccc( cc2)C(Nc3cc(ccc3C(=O)O)C#N)=O)C(=O)NC(=N 4)N; NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4cc (ccc4C(O)=O)C#N)c2C(=O)N1 |
2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid |
| 30999 |  OG2 |
1 | C13 H23 N3 | InChI=1S/C13H23N3/c1-2-15 -12(14)16-13-6-9-3-10(7-1 3)5-11(4-9)8-13/h9-11H,2- 8H2,1H3,(H3,14,15,16)/t9- ,10+,11-,13-; VGBFQSVFIIHEDN-DNSLJTBWSA-N |
CCNC(=N)NC12CC3CC(C1)CC(C3)C2; [H]/N=C(\ NCC)/NC12CC3CC(C1)CC(C3)C2; CCNC(=N)NC12 CC3CC(CC(C3)C1)C2 |
1-(1-adamantyl)-3-ethyl-guanidine |
| 31000 |  OG3 ZINC000002047916 |
1 | C8 H10 Cl N | InChI=1S/C8H10ClN/c1-6(10 )7-2-4-8(9)5-3-7/h2-6H,10 H2,1H3/t6-/m1/s1; PINPOEWMCLFRRB-ZCFIWIBFSA-N |
C[C@H](c1ccc(cc1)Cl)N; C[C@@H](N)c1ccc(C l)cc1; C[CH](N)c1ccc(Cl)cc1; CC(c1ccc(cc 1)Cl)N |
(1~{R})-1-(4-chlorophenyl)ethanamine; (R)-1-(4-chlorophenyl)ethan-1-amine |
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