 | | 0VR | | Name: | 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate | | Formula: | C12 H18 N O9 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CNc1ccccc1C(=O)O | | InChi: | InChI=1S/C12H18NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,9-11,13-16H,5-6H2,(H,17,18)(H2,19,20,21)/t9-,10+,11-/m0/s1 | | Synonyms: | 1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribitol | | Definition date: | 2012-07-13 | | Last modified: | 2020-06-17 | | Release date: | 2012-11-30 | | Identifier: | 1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribitol |
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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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 | | 0WU | | Name: | (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one | | Formula: | C10 H14 O | | SMILES: | O=C1C(=CCC(C(=C)C)C1)C | | InChi: | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1 | | Synonyms: | S-carvone | | Definition date: | 2012-08-03 | | Last modified: | 2020-06-17 | | Release date: | 2012-08-24 | | Identifier: | (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one |
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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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 | | 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 |
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 | | OSP | | Name: | SULTHIAME | | Formula: | C10 H14 N2 O4 S2 | | SMILES: | O=S2(=O)N(c1ccc(cc1)S(=O)(=O)N)CCCC2 | | InChi: | InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16) | | Synonyms: | 4-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)BENZENESULFONAMIDE | | Definition date: | 2007-06-21 | | Last modified: | 2020-06-17 | | Identifier: | 4-(1,1-dioxido-1,2-thiazinan-2-yl)benzenesulfonamide |
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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 |
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 | | 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 |
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 | | 0ZC | | Name: | (3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid | | Formula: | C23 H25 N3 O5 | | SMILES: | O=C(NC(C(=O)N3C(C(=O)O)Cc2c1ccccc1nc2C3)CC(C)C)c4occc4 | | InChi: | InChI=1S/C23H25N3O5/c1-13(2)10-17(25-21(27)20-8-5-9-31-20)22(28)26-12-18-15(11-19(26)23(29)30)14-6-3-4-7-16(14)24-18/h3-9,13,17,19,24H,10-12H2,1-2H3,(H,25,27)(H,29,30)/t17-,19-/m0/s1 | | Synonyms: | Furoyl-LeusycloTrp | | Definition date: | 2008-08-05 | | Last modified: | 2020-06-17 | | Identifier: | (3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid |
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 | | 0ZE | | Name: | [[[(4S,5S)-4-[[(3S,6S,8aR)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b
enzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium | | Formula: | C29 H38 N7 O3 S | | SMILES: | O=C4N1C(CCC1C(=O)NC(CCCNC(=[NH2+])N)C(O)c2nc3ccccc3s2)CCC4(N)Cc5ccccc5 | | InChi: | InChI=1S/C29H37N7O3S/c30-28(31)33-16-6-10-21(24(37)26-35-20-9-4-5-11-23(20)40-26)34-25(38)22-13-12-19-14-15-29(32,27(39)36(19)22)17-18-7-2-1-3-8-18/h1-5,7-9,11,19,21-22,24,37H,6,10,12-17,32H2,(H,34,38)(H4,30,31,33)/p+1/t19-,21+,22+,24+,29+/m1/s1 | | Synonyms: | MOL-168 | | Definition date: | 2008-08-05 | | Last modified: | 2020-06-17 | | Identifier: | amino{[(4S,5S)-4-({[(3S,6S,8aR)-6-amino-6-benzyl-5-oxooctahydroindolizin-3-yl]carbonyl}amino)-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]amino}methaniminium (non-preferred name) |
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 | | 0ZG | | Name: | 3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide | | Formula: | C22 H28 N4 O3 S | | SMILES: | O=C(N1CCCCC1)C(NS(=O)(=O)c2ccc(cc2)C)Cc3cccc(C(=[N@H])N)c3 | | InChi: | InChI=1S/C22H28N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20,25H,2-4,12-13,15H2,1H3,(H3,23,24)/t20-/m0/s1 | | Synonyms: | 4-TAPAP | | Definition date: | 2008-08-05 | | Last modified: | 2020-06-17 | | Identifier: | 3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzenecarboximidamide |
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 | | 0ZP | | Name: | N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-y
l)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide | | Formula: | C51 H68 N5 O4 | | SMILES: | O=C(NCC(C)CC)C(CC(C)C)CC(O)C(NC(=O)C(NC(=O)C(Cc2c1ccccc1ccc2)Cc4c3ccccc3ccc4)Cc5cnc[nH+]5)CC6CCCCC6 | | InChi: | InChI=1S/C51H67N5O4/c1-5-35(4)31-53-49(58)41(25-34(2)3)29-48(57)46(26-36-15-7-6-8-16-36)55-51(60)47(30-43-32-52-33-54-43)56-50(59)42(27-39-21-13-19-37-17-9-11-23-44(37)39)28-40-22-14-20-38-18-10-12-24-45(38)40/h9-14,17-24,32-36,41-42,46-48,57H,5-8,15-16,25-31H2,1-4H3,(H,52,54)(H,53,58)(H,55,60)(H,56,59)/p+1/t35-,41+,46-,47-,48-/m0/s1 | | Synonyms: | PD125967 | | Definition date: | 2008-08-12 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2S)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide |
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 | | 114 | | Name: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h
eptanoic acid | | Formula: | C23 H36 O6 | | SMILES: | O=C(O)CC(O)CC(O)CCC2C(C=CC1=CCCC(OC(=O)C(C)CC)C12)C | | InChi: | InChI=1S/C23H36O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27)/t14-,15-,17+,18+,19-,20-,22-/m0/s1 | | Synonyms: | Hydrolyzed Compactin | | Definition date: | 2001-01-15 | | Last modified: | 2020-06-17 | | Identifier: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid |
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 | | 115 | | Name: | (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | | Formula: | C24 H26 F N O4 | | SMILES: | c12ccccc1n(c(c2c3ccc(cc3)F)C=CC(CC(O)CC(=O)O)O)C(C)C | | InChi: | InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1 | | Synonyms: | FLUVASTATIN | | Definition date: | 2001-01-16 | | Last modified: | 2020-06-17 | | Identifier: | (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid |
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 | | 116 | | Name: | 7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-DIHYDROXY-HEPTANOIC ACID | | Formula: | C26 H36 F N O5 | | SMILES: | O=C(O)CC(O)CC(O)CCc1c(nc(c(c1c2ccc(F)cc2)COC)C(C)C)C(C)C | | InChi: | InChI=1S/C26H36FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-9,15-16,19-20,29-30H,10-14H2,1-5H3,(H,31,32)/t19-,20-/m1/s1 | | Synonyms: | CERIVASTATIN | | Definition date: | 2001-01-16 | | Last modified: | 2020-06-17 | | Identifier: | (3R,5R)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)pyridin-3-yl]-3,5-dihydroxyheptanoic acid |
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 | | 117 | | Name: | 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID | | Formula: | C33 H35 F N2 O5 | | SMILES: | O=C(O)CC(O)CC(O)CCn2c(c(c(c2c1ccc(F)cc1)c3ccccc3)C(=O)Nc4ccccc4)C(C)C | | InChi: | InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1 | | Synonyms: | ATORVASTATIN | | Definition date: | 2001-01-17 | | Last modified: | 2020-06-17 | | Identifier: | (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid |
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 | | 11D | | Name: | 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid | | Formula: | C23 H34 N2 O4 S | | SMILES: | O=C(O)CCCCCCCCCCNS(=O)(=O)c2cccc1c(cccc12)N(C)C | | InChi: | InChI=1S/C23H34N2O4S/c1-25(2)21-15-11-14-20-19(21)13-12-16-22(20)30(28,29)24-18-10-8-6-4-3-5-7-9-17-23(26)27/h11-16,24H,3-10,17-18H2,1-2H3,(H,26,27) | | Synonyms: | 11-(Dansylamino)undecanoic acid | | Definition date: | 2010-07-20 | | Last modified: | 2020-06-17 | | Identifier: | 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid |
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 | | 11F | | Name: | 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | | Formula: | C22 H22 N4 O | | SMILES: | C(#CC(c2ccc(c1ccccc1)c(OC)c2)C)c3c(nc(nc3C)N)N | | InChi: | InChI=1S/C22H22N4O/c1-14(9-11-18-15(2)25-22(24)26-21(18)23)17-10-12-19(20(13-17)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26)/t14-/m1/s1 | | Synonyms: | 2,4-Diamino-5-[3S-(3-methoxy-4-phenylphenyl)but-1-ynyl]-6-methylpyrimidine | | Definition date: | 2009-01-13 | | Last modified: | 2020-06-17 | | Identifier: | 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine |
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 | | 11U | | Name: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide | | Formula: | C21 H31 N5 O2 | | SMILES: | O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCC2)CCC3 | | InChi: | InChI=1S/C21H31N5O2/c22-20(23)16-10-8-15(9-11-16)13-25-21(28)18-7-4-12-26(18)19(27)14-24-17-5-2-1-3-6-17/h8-11,17-18,24H,1-7,12-14H2,(H3,22,23)(H,25,28)/t18-/m0/s1 | | Synonyms: | (2S)-1-[cyclohexylamino)acetyl-N-{4-[amino(imino)methyl]benzyl}pyrrolidine-2-carboxamide | | Definition date: | 2007-12-04 | | Last modified: | 2020-06-17 | | Identifier: | N-cyclohexylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide |
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 | | 11W | | Name: | (4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid | | Formula: | C20 H21 N3 O4 | | SMILES: | O=C(O)C(N)CC(C(=O)O)C/C=C/c2ccc(/N=N/c1ccccc1)cc2 | | InChi: | InChI=1S/C20H21N3O4/c21-18(20(26)27)13-15(19(24)25)6-4-5-14-9-11-17(12-10-14)23-22-16-7-2-1-3-8-16/h1-5,7-12,15,18H,6,13,21H2,(H,24,25)(H,26,27)/b5-4+,23-22+/t15-,18+/m1/s1 | | Synonyms: | trans-GluAzo | | Definition date: | 2012-10-01 | | Last modified: | 2020-06-17 | | Release date: | 2013-09-25 | | Identifier: | (4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid |
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 | | 12J | | Name: | 2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide | | Formula: | C16 H16 I N O2 | | SMILES: | CC(C)Oc1cccc(NC(=O)c2ccccc2I)c1 | | InChi: | InChI=1S/C16H16INO2/c1-11(2)20-13-7-5-6-12(10-13)18-16(19)14-8-3-4-9-15(14)17/h3-11H,1-2H3,(H,18,19) | | Synonyms: | 2-Iodo-N-(3-isopropoxyphenyl)benzamide | | Definition date: | 2010-02-19 | | Last modified: | 2020-06-17 | | Identifier: | 2-iodo-N-(3-propan-2-yloxyphenyl)benzamide |
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 | | 12Q | | Name: | 1-METHYLQUINOLIN-2(1H)-ONE | | Formula: | C10 H9 N O | | SMILES: | O=C2C=Cc1c(cccc1)N2C | | InChi: | InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3 | | Synonyms: | 1-METHYL-2-QUINOLONE | | Definition date: | 2005-11-29 | | Last modified: | 2020-06-17 | | Identifier: | 1-methylquinolin-2(1H)-one |
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 | | OXN | | Name: | OXTOXYNOL-10 | | Formula: | C34 H62 O11 | | SMILES: | O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C34H62O11/c1-33(2,3)30-34(4,5)31-6-8-32(9-7-31)45-29-28-44-27-26-43-25-24-42-23-22-41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-35/h6-9,35H,10-30H2,1-5H3 | | Synonyms: | ALPHA-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXYPOLY(OXY-1,2-ETHANEDIYL) | | Definition date: | 2001-05-14 | | Last modified: | 2020-06-17 | | Identifier: | 29-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol |
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 | | 13X | | Name: | benzene-1,3,5-triol | | Formula: | C6 H6 O3 | | SMILES: | Oc1cc(O)cc(O)c1 | | InChi: | InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H | | Synonyms: | Phloroglucinol | | Definition date: | 2012-10-05 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-19 | | Identifier: | benzene-1,3,5-triol |
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 | | 141 | | Name: | Oxypurinol | | Formula: | C5 H4 N4 O2 | | SMILES: | O=C1N=C2C(C(=O)N1)=CNN2 | | InChi: | InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11) | | Synonyms: | Alloxanthine | | Definition date: | 2001-08-21 | | Last modified: | 2020-06-17 | | Identifier: | 1H-pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione |
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