 | | OP1 | | Name: | 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline | | Formula: | C11 H18 N4 O5 | | SMILES: | O=C(O)C(N1C(=O)CCC1C(=O)O)CCCNC(=[N@H])N | | InChi: | InChI=1S/C11H18N4O5/c12-11(13)14-5-1-2-6(9(17)18)15-7(10(19)20)3-4-8(15)16/h6-7H,1-5H2,(H,17,18)(H,19,20)(H4,12,13,14)/t6-,7+/m0/s1 | | Synonyms: | Pyronopaline | | Definition date: | 2014-02-28 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-22 | | Identifier: | 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline |
|
 | | OPD | | Name: | 9R,13R-12-OXOPHYTODIENOIC ACID | | Formula: | C18 H28 O3 | | SMILES: | O=C1C=CC(CCCCCCCC(=O)O)C1C/C=C/CC | | InChi: | InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/t15-,16-/m1/s1 | | Synonyms: | 9R,13R-OPDA | | Definition date: | 2001-04-06 | | Last modified: | 2020-06-17 | | Identifier: | 8-[(1R,5R)-4-oxo-5-pent-2-en-1-ylcyclopent-2-en-1-yl]octanoic acid |
|
 | | OPS | | Name: | 3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE | | Formula: | C6 H9 O2 S2 | | SMILES: | O=C(SCCC=O)CC[S-] | | InChi: | InChI=1S/C6H10O2S2/c7-3-1-5-10-6(8)2-4-9/h3,9H,1-2,4-5H2/p-1 | | Synonyms: | 2-(3-OXO-PROPYLSULFANYLCARBONYL)-ETHANETHIOLATE | | Definition date: | 2004-05-06 | | Last modified: | 2020-06-17 | | Identifier: | 3-oxo-3-[(3-oxopropyl)sulfanyl]propane-1-thiolate |
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 | | OPY | | Name: | (3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine | | Formula: | C9 H19 N3 O | | SMILES: | O=C(N1CCCCC1)C(N)CCN | | InChi: | InChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/m0/s1 | | Synonyms: | GSK237826A | | Definition date: | 2010-05-17 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2,4-diamino-1-(piperidin-1-yl)butan-1-one |
|
 | | 61M | | Name: | 3-(2-aminophenyl)-3-oxopropanoic acid | | Formula: | C9 H9 N O3 | | SMILES: | C(C(O)=O)C(c1ccccc1N)=O | | InChi: | InChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13) | | Synonyms: | 2-aminobenzoylacetate | | Definition date: | 2016-01-13 | | Last modified: | 2020-06-17 | | Release date: | 2016-04-27 | | Identifier: | 3-(2-aminophenyl)-3-oxopropanoic acid |
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 | | 61N | | Name: | 6-hydroxynaphthalene-1-carboxylic acid | | Formula: | C11 H8 O3 | | SMILES: | O=C(O)c1cccc2c1ccc(O)c2 | | InChi: | InChI=1S/C11H8O3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6,12H,(H,13,14) | | Synonyms: | 6-HYDROXY-1-NAPHTHOIC ACID | | Definition date: | 2013-08-22 | | Last modified: | 2020-06-17 | | Release date: | 2013-09-04 | | Identifier: | 6-hydroxynaphthalene-1-carboxylic acid |
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 | | 61W | | Name: | 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole | | Formula: | C18 H22 N2 O | | SMILES: | c2(cc(c1ccc(C)cc1)no2)C3=CCCN(CCC)C3 | | InChi: | InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3 | | Synonyms: | PD144418 | | Definition date: | 2016-01-14 | | Last modified: | 2020-06-17 | | Release date: | 2016-04-06 | | Identifier: | 5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-propyl-1,2,3,6-tetrahydropyridine |
|
 | | 623 | | Name: | 3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE) | | Formula: | C20 H18 F2 N5 O2 | | SMILES: | Fc3c(Oc1cc(C(=[N@H])N)ccc1)[nH+]c(Oc2cccc(C(=[N@H])N)c2)c(F)c3C | | InChi: | InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)/p+1 | | Synonyms: | ZK-805623 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2,6-bis(3-carbamimidoylphenoxy)-3,5-difluoro-4-methylpyridinium |
|
 | | 627 | | Name: | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE | | Formula: | C26 H30 N6 O3 | | SMILES: | O=C(n4cc3c(N=N/C3=N/C(=O)c1ccc(cc1)N2CCN(C)CC2)c4)C(OC)c5ccccc5 | | InChi: | InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1 | | Synonyms: | Danusertib | | Definition date: | 2006-09-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3E)-5-[(2R)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5H)-ylidene]-4-(4-methylpiperazin-1-yl)benzamide |
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 | | OQR | | Name: | {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Formula: | C14 H21 N3 O3 | | SMILES: | C2Cc1cc(CO)c(cc1NC2CNC(C)C)[N+]([O-])=O | | InChi: | InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m1/s1 | | Synonyms: | oxamniquine | | Definition date: | 2015-06-11 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol |
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 | | ORE | | Name: | 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)ISOPHTHALIC ACID | | Formula: | C21 H10 F2 O7 | | SMILES: | O=C(O)c4ccc(C=1c3c(OC=2C=1C=C(F)C(=O)C=2)cc(O)c(F)c3)c(C(=O)O)c4 | | InChi: | InChI=1S/C21H10F2O7/c22-13-4-11-17(6-15(13)24)30-18-7-16(25)14(23)5-12(18)19(11)9-2-1-8(20(26)27)3-10(9)21(28)29/h1-7,24H,(H,26,27)(H,28,29) | | Synonyms: | OREGON GREEN 488 CARBOXYLATE | | Definition date: | 2005-07-21 | | Last modified: | 2020-06-17 | | Identifier: | 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzene-1,3-dicarboxylic acid |
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 | | 62W | | Name: | L-glucitol | | Formula: | C6 H14 O6 | | SMILES: | OCC(O)C(O)C(O)C(CO)O | | InChi: | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m0/s1 | | Synonyms: | L-sorbitol | | Definition date: | 2016-01-18 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-03 | | Identifier: | L-glucitol |
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 | | 633 | | Name: | N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide | | Formula: | C26 H29 N7 O2 | | SMILES: | c12c(nc(nc1ncc2)Nc4ccc(N3CCN(CC3)C)cc4)Oc5cc(NC(CC)=O)ccc5 | | InChi: | InChI=1S/C26H29N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h4-12,17H,3,13-16H2,1-2H3,(H,28,34)(H2,27,29,30,31) | | Synonyms: | Bound form of
N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | Definition date: | 2016-01-18 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-03 | | Identifier: | N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide |
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 | | 634 | | Name: | N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide | | Formula: | C19 H19 N7 O2 | | SMILES: | c23c(nc(Nc1cn(C)nc1)nc2ncc3)Oc4cc(NC(CC)=O)ccc4 | | InChi: | InChI=1S/C19H19N7O2/c1-3-16(27)22-12-5-4-6-14(9-12)28-18-15-7-8-20-17(15)24-19(25-18)23-13-10-21-26(2)11-13/h4-11H,3H2,1-2H3,(H,22,27)(H2,20,23,24,25) | | Synonyms: | Bound form of N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide | | Definition date: | 2016-01-18 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-03 | | Identifier: | N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide |
|
 | | 63A | | Name: | 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr
olidin-1-yl]propan-1-one | | Formula: | C19 H22 F3 N7 O2 | | SMILES: | N1(C(=O)CC)CC(C(F)(F)F)C(C1)COc2c4c(nc(n2)Nc3cn(nc3)C)ncc4 | | InChi: | InChI=1S/C19H22F3N7O2/c1-3-15(30)29-7-11(14(9-29)19(20,21)22)10-31-17-13-4-5-23-16(13)26-18(27-17)25-12-6-24-28(2)8-12/h4-6,8,11,14H,3,7,9-10H2,1-2H3,(H2,23,25,26,27)/t11-,14+/m1/s1 | | Synonyms: | Bound form of
1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrro
lidin-1-yl]prop-2-en-1-one | | Definition date: | 2016-01-18 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-03 | | Identifier: | 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one |
|
 | | 63L | | Name: | 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide | | Formula: | C6 H9 N5 O2 S | | SMILES: | c1(c(n(C(N)=O)nc1SC)N)C(=O)N | | InChi: | InChI=1S/C6H9N5O2S/c1-14-5-2(4(8)12)3(7)11(10-5)6(9)13/h7H2,1H3,(H2,8,12)(H2,9,13) | | Synonyms: | 5-Amino-3-methylsulfanyl-pyrazole-1,4-dicarboxylicacid diamide | | Definition date: | 2016-01-20 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-08 | | Identifier: | 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide |
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 | | OSB | | Name: | 2-SUCCINYLBENZOATE | | Formula: | C11 H10 O5 | | SMILES: | O=C(O)c1ccccc1C(=O)CCC(=O)O | | InChi: | InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16) | | Synonyms: | O-SUCCINYLBENZOATE | | Definition date: | 2000-08-11 | | Last modified: | 2020-06-17 | | Identifier: | 2-(3-carboxypropanoyl)benzoic acid |
|
 | | 643 | | Name: | 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carbox
ylic acid | | Formula: | C29 H25 Cl2 N3 O4 | | SMILES: | O=C(O)c2c1ccc(cc1n(c2)C)c5c(cc(OCc4c(onc4c3c(Cl)cncc3Cl)C(C)C)cc5)C | | InChi: | InChI=1S/C29H25Cl2N3O4/c1-15(2)28-22(27(33-38-28)26-23(30)11-32-12-24(26)31)14-37-18-6-8-19(16(3)9-18)17-5-7-20-21(29(35)36)13-34(4)25(20)10-17/h5-13,15H,14H2,1-4H3,(H,35,36) | | Synonyms: | 6-{4-[3-(3,5-Dichloro-pyridin-4-yl)-5-isopropyl-isoxazol-4-ylmethoxy]-2-methyl-phenyl}-1-methyl-1H-indole-3-carboxylic
acid | | Definition date: | 2009-01-23 | | Last modified: | 2020-06-17 | | Identifier: | 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carboxylic acid |
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 | | OT5 | | Name: | 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone | | Formula: | C25 H28 Cl2 N4 O2 | | SMILES: | Clc4cc(c1nc2c(c(cnc2cc1)C(=O)C)NC3CCC(CN(C)C)CC3)cc(Cl)c4O | | InChi: | InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17- | | Synonyms: | OTSSP167 | | Definition date: | 2014-02-17 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-08 | | Identifier: | 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone |
|
 | | OTD | | Name: | 2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID | | Formula: | C6 H6 N2 O5 | | SMILES: | O=C(O)C1C=C(C(=O)O)NC(=O)N1 | | InChi: | InChI=1S/C6H6N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h1-2H,(H,9,10)(H,11,12)(H2,7,8,13)/t2-/m1/s1 | | Synonyms: | HDDP | | Definition date: | 2007-03-01 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-2-oxo-1,2,3,4-tetrahydropyrimidine-4,6-dicarboxylic acid |
|
 | | 653 | | Name: | 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE | | Formula: | C22 H22 N5 O | | SMILES: | [O-]c4c(c1ccccc1)cc(cc4c3nc2cc(ccc2n3)C(=[NH2+])N)CC[NH3+] | | InChi: | InChI=1S/C22H21N5O/c23-9-8-13-10-16(14-4-2-1-3-5-14)20(28)17(11-13)22-26-18-7-6-15(21(24)25)12-19(18)27-22/h1-7,10-12,28H,8-9,23H2,(H3,24,25)(H,26,27)/p+1 | | Synonyms: | CRA_23653 | | Definition date: | 2003-03-14 | | Last modified: | 2020-06-17 | | Identifier: | 3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-5-(2-ammonioethyl)biphenyl-2-olate |
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 | | 65A | | Name: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one | | Formula: | C20 H21 N3 O2 | | SMILES: | c3(C)c2c(c1ccccc1OC)c4C(=O)CC(C)(Cc4nc2nn3)C | | InChi: | InChI=1S/C20H21N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8H,9-10H2,1-4H3,(H,21,22,23) | | Synonyms: | BRD3937 | | Definition date: | 2016-01-26 | | Last modified: | 2020-06-17 | | Release date: | 2016-05-25 | | Identifier: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
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 | | 65B | | Name: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE | | Formula: | C20 H15 Br N6 O | | SMILES: | N#Cc3cc(c(Oc1nc(nc(c1Br)N)Nc2ccc(C#N)cc2)c(c3)C)C | | InChi: | InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27) | | Synonyms: | Etravine | | Definition date: | 2004-04-15 | | Last modified: | 2020-06-17 | | Identifier: | 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile |
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 | | OTT | | Name: | (2E,4E,6E)-octa-2,4,6-trienoic acid | | Formula: | C8 H10 O2 | | SMILES: | O=C(O)C=CC=CC=CC | | InChi: | InChI=1S/C8H10O2/c1-2-3-4-5-6-7-8(9)10/h2-7H,1H3,(H,9,10)/b3-2+,5-4+,7-6+ | | Synonyms: | 2,4,6-OCTATRIENOIC ACID | | Definition date: | 2009-12-08 | | Last modified: | 2020-06-17 | | Identifier: | (2E,4E,6E)-octa-2,4,6-trienoic acid |
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 | | OUL | | Name: | 4-(4-aminocarbonylphenoxy)benzamide | | Formula: | C14 H12 N2 O3 | | SMILES: | NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1 | | InChi: | InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18) | | Synonyms: | OUL35 | | Definition date: | 2017-09-25 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-25 | | Identifier: | 4-(4-aminocarbonylphenoxy)benzamide |
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