 | | RLM | | Name: | 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol | | Formula: | C12 H9 Cl2 N O2 | | SMILES: | Clc1cc(cc(Cl)c1O)Nc2ccc(O)cc2 | | InChi: | InChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H | | Definition date: | 2013-05-13 | | Last modified: | 2014-09-05 | | Release date: | 2014-05-28 | | Identifier: | 2,6-dichloro-4-[(4-hydroxyphenyl)amino]phenol |
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 | | 3C7 | | Name: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid | | Formula: | C7 H11 N O2 S3 | | SMILES: | O=C(O)C1N2C(SCC2SC1)CS | | InChi: | InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m0/s1 | | Definition date: | 2014-07-25 | | Last modified: | 2014-09-05 | | Release date: | 2014-08-20 | | Identifier: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid |
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 | | 3CG | | Name: | (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid | | Formula: | C9 H9 O5 Sb | | SMILES: | O=C(O)C=C/c1cc(ccc1)[Sb](=O)(O)O | | InChi: | InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8 | | Definition date: | 2014-07-29 | | Last modified: | 2014-09-05 | | Release date: | 2014-08-06 | | Identifier: | (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid |
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 | | 3D8 | | Name: | N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine | | Formula: | C11 H9 N5 | | SMILES: | n1c(c2cccn2nc1)Nc3cccnc3 | | InChi: | InChI=1S/C11H9N5/c1-3-9(7-12-5-1)15-11-10-4-2-6-16(10)14-8-13-11/h1-8H,(H,13,14,15) | | Definition date: | 2014-07-28 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-03 | | Identifier: | N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine |
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 | | 3D9 | | Name: | 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine | | Formula: | C17 H13 N5 | | SMILES: | n1c(c2cc(cn2nc1)c3ccccc3)Nc4ccncc4 | | InChi: | InChI=1S/C17H13N5/c1-2-4-13(5-3-1)14-10-16-17(19-12-20-22(16)11-14)21-15-6-8-18-9-7-15/h1-12H,(H,18,19,20,21) | | Definition date: | 2014-07-28 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-03 | | Identifier: | 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine |
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 | | 3DC | | Name: | 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine | | Formula: | C14 H11 N7 | | SMILES: | n3n2cc(c1cnnc1)cc2c(nc3)Nc4ccncc4 | | InChi: | InChI=1S/C14H11N7/c1-3-15-4-2-12(1)20-14-13-5-10(11-6-17-18-7-11)8-21(13)19-9-16-14/h1-9H,(H,17,18)(H,15,16,19,20) | | Definition date: | 2014-07-28 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-03 | | Identifier: | 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine |
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 | | RPB | | Name: | Rucaparib | | Formula: | C19 H18 F N3 O | | SMILES: | Fc4cc2c1c(nc(c1CCNC2=O)c3ccc(cc3)CNC)c4 | | InChi: | InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24) | | Definition date: | 2013-04-18 | | Last modified: | 2014-09-05 | | Release date: | 2013-12-11 | | Identifier: | 8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one |
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 | | 3DZ | | Name: | (2S)-2-[3-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid | | Formula: | C20 H27 N2 O4 P | | SMILES: | O=C(O)C(Cc1cccc(c1)CN)CP(=O)(O)C(N)CCc2ccccc2 | | InChi: | InChI=1S/C20H27N2O4P/c21-13-17-8-4-7-16(11-17)12-18(20(23)24)14-27(25,26)19(22)10-9-15-5-2-1-3-6-15/h1-8,11,18-19H,9-10,12-14,21-22H2,(H,23,24)(H,25,26)/t18-,19-/m1/s1 | | Definition date: | 2014-08-01 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | (2S)-2-[3-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid |
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 | | RPS | | Name: | PHTALIMIDE-RUTHENIUM COMPLEX | | Formula: | C20 H19 N2 O3 Ru S3 | | SMILES: | O=C2c1cc7c(cc1C(=O)N2)c3ccccn3[Ru]675(C#[O+])S4CCS6CCS5CC4 | | InChi: | InChI=1S/C13H7N2O2.C6H12S3.CO.Ru/c16-12-9-5-4-8(7-10(9)13(17)15-12)11-3-1-2-6-14-11 | | Definition date: | 2012-04-27 | | Last modified: | 2014-09-05 | | Release date: | 2012-09-28 | | Identifier: | carbonyl[1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium(1+) |
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 | | 3EO | | Name: | (4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide | | Formula: | C37 H46 N6 O7 S2 | | SMILES: | O=S(=O)(NC(=O)C12NC(=O)N3C(C(=O)N(C)CCCCC=CC2C1)CC3COc5cc(nc4cc(OC)ccc45)c6nc(cs6)C(C)C)C7(C)CC7 | | InChi: | InChI=1S/C37H46N6O7S2/c1-22(2)29-21-51-32(39-29)28-18-31(26-12-11-25(49-5)17-27(26)38-28)50-20-24-16-30-33(44)42(4)15-9-7-6-8-10-23-19-37(23,40-35(46)43(24)30)34(45)41-52(47,48)36(3)13-14-36/h8,10-12,17-18,21-24,30H,6-7,9,13-16,19-20H2,1-5H3,(H,40,46)(H,41,45)/b10-8-/t23-,24+,30+,37-/m1/s1 | | Definition date: | 2014-08-01 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | (4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide |
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 | | 3ER | | Name: | (2S)-(3-chlorophenyl)[(methylsulfonyl)amino]ethanoic acid | | Formula: | C9 H10 Cl N O4 S | | SMILES: | Clc1cc(ccc1)C(NS(=O)(=O)C)C(=O)O | | InChi: | InChI=1S/C9H10ClNO4S/c1-16(14,15)11-8(9(12)13)6-3-2-4-7(10)5-6/h2-5,8,11H,1H3,(H,12,13)/t8-/m0/s1 | | Definition date: | 2014-08-12 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | (2S)-(3-chlorophenyl)[(methylsulfonyl)amino]ethanoic acid |
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 | | 3EU | | Name: | (3,5-dichlorophenyl)acetic acid | | Formula: | C8 H6 Cl2 O2 | | SMILES: | Clc1cc(cc(Cl)c1)CC(=O)O | | InChi: | InChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12) | | Definition date: | 2014-08-12 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | (3,5-dichlorophenyl)acetic acid |
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 | | 3F4 | | Name: | 2-(4-hydroxyphenyl)-3H-quinazolin-4-one | | Formula: | C14 H10 N2 O2 | | SMILES: | O=C2c3ccccc3N=C(c1ccc(O)cc1)N2 | | InChi: | InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18) | | Definition date: | 2013-06-20 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-30 | | Identifier: | 2-(4-hydroxyphenyl)quinazolin-4(3H)-one |
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 | | 3FO | | Name: | N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide | | Formula: | C22 H26 Cl N5 O5 S | | SMILES: | Clc1cc(ccc1)C(NS(=O)(=O)C)C(=O)NC(C(=O)NCC(=O)NCC=[N@H])Cc2ccccc2 | | InChi: | InChI=1S/C22H26ClN5O5S/c1-34(32,33)28-20(16-8-5-9-17(23)13-16)22(31)27-18(12-15-6-3-2-4-7-15)21(30)26-14-19(29)25-11-10-24/h2-10,13,18,20,24,28H,11-12,14H2,1H3,(H,25,29)(H,26,30)(H,27,31)/b24-10-/t18-,20-/m0/s1 | | Definition date: | 2014-08-11 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide |
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 | | 3FS | | Name: | N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide | | Formula: | C16 H20 Cl2 N4 O4 | | SMILES: | Clc1cc(cc(Cl)c1)CC(=O)NC(C(=O)NCC(=O)NCC=[N@H])C(O)C | | InChi: | InChI=1S/C16H20Cl2N4O4/c1-9(23)15(16(26)21-8-14(25)20-3-2-19)22-13(24)6-10-4-11(17)7-12(18)5-10/h2,4-5,7,9,15,19,23H,3,6,8H2,1H3,(H,20,25)(H,21,26)(H,22,24)/b19-2-/t9-,15+/m1/s1 | | Definition date: | 2014-08-11 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide |
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 | | 3FU | | Name: | N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide | | Formula: | C22 H28 Cl2 N6 O2 | | SMILES: | Clc1cc(cc(Cl)c1)C(N(C)C)C(=O)NC(C(=O)NCc2nc(ncc2)C=[N@H])C(C)CC | | InChi: | InChI=1S/C22H28Cl2N6O2/c1-5-13(2)19(21(31)27-12-17-6-7-26-18(11-25)28-17)29-22(32)20(30(3)4)14-8-15(23)10-16(24)9-14/h6-11,13,19-20,25H,5,12H2,1-4H3,(H,27,31)(H,29,32)/b25-11-/t13-,19-,20+/m0/s1 | | Definition date: | 2014-08-11 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide |
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 | | 3FW | | Name: | 1-{2-[(Z)-iminomethyl]pyrimidin-4-yl}methanamine | | Formula: | C6 H8 N4 | | SMILES: | [N@H]=Cc1nc(ccn1)CN | | InChi: | InChI=1S/C6H8N4/c7-3-5-1-2-9-6(4-8)10-5/h1-2,4,8H,3,7H2/b8-4- | | Definition date: | 2014-08-12 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | 1-{2-[(Z)-iminomethyl]pyrimidin-4-yl}methanamine |
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 | | 3GM | | Name: | (2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid | | Formula: | C26 H30 N2 O7 | | SMILES: | O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)CC4c3ccccc3CC4NC(=O)CCCN | | InChi: | InChI=1S/C26H30N2O7/c27-11-3-6-22(29)28-20-13-15-4-1-2-5-18(15)19(20)12-16-7-9-21-25(24(16)26(32)33)34-14-17(35-21)8-10-23(30)31/h1-2,4-5,7,9,17,19-20H,3,6,8,10-14,27H2,(H,28,29)(H,30,31)(H,32,33)/t17-,19+,20-/m0/s1 | | Definition date: | 2013-11-13 | | Last modified: | 2014-09-05 | | Release date: | 2013-11-20 | | Identifier: | (2S)-6-({(1R,2S)-2-[(4-aminobutanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
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 | | 3GT | | Name: | (3beta,4beta,5beta,10beta,11E,13E)-maytansine | | Formula: | C34 H46 Cl N3 O10 | | SMILES: | O=C(N(C)C(C(=O)OC3CC(=O)N(c1c(Cl)c(OC)cc(c1)CC(=CC=CC(OC)C2(O)NC(=O)OC(C2)C(C)C4OC34C)C)C)C)C | | InChi: | InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1 | | Definition date: | 2014-08-17 | | Last modified: | 2014-09-05 | | Release date: | 2014-08-27 | | Identifier: | (3beta,4beta,5beta,10beta,11E,13E)-maytansine |
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 | | RU5 | | Name: | 2-[4-(4-CHLOROPHENOXY)PHENYL]-1H-BENZIMIDAZOLE-6-CARBOXAMIDE | | Formula: | C20 H14 Cl N3 O2 | | SMILES: | Clc4ccc(Oc3ccc(c2nc1ccc(cc1n2)C(=O)N)cc3)cc4 | | InChi: | InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24) | | Definition date: | 2011-11-28 | | Last modified: | 2014-09-05 | | Release date: | 2012-10-05 | | Identifier: | 2-[4-(4-chlorophenoxy)phenyl]-1H-benzimidazole-6-carboxamide |
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 | | RU9 | | Name: | 2-(4-(3-HYDROXYPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE | | Formula: | C20 H15 N3 O3 | | SMILES: | O=C(c3ccc4nc(c2ccc(Oc1cccc(O)c1)cc2)nc4c3)N | | InChi: | InChI=1S/C20H15N3O3/c21-19(25)13-6-9-17-18(10-13)23-20(22-17)12-4-7-15(8-5-12)26-16-3-1-2-14(24)11-16/h1-11,24H,(H2,21,25)(H,22,23) | | Definition date: | 2011-11-28 | | Last modified: | 2014-09-05 | | Release date: | 2012-10-05 | | Identifier: | 2-[4-(3-hydroxyphenoxy)phenyl]-1H-benzimidazole-6-carboxamide |
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 | | BO5 | | Name: | (9E)-19-CHLORANYL-13-METHYL-16,18-BIS(OXIDANYL)-13-AZABICYCLO[13.4.0]NONADECA-1(15),9,16,18-TETRAENE-3,14-DIONE | | Formula: | C19 H24 Cl N O4 | | SMILES: | O=C2c1c(O)cc(O)c(Cl)c1CC(=O)CCCCCC=CCCN2C | | InChi: | InChI=1S/C19H24ClNO4/c1-21-10-8-6-4-2-3-5-7-9-13(22)11-14-17(19(21)25)15(23)12-16(24)18(14)20/h4,6,12,23-24H,2-3,5,7-11H2,1H3/b6-4+ | | Definition date: | 2013-11-08 | | Last modified: | 2014-09-05 | | Release date: | 2014-01-29 | | Identifier: | (5E)-14-chloro-15,17-dihydroxy-2-methyl-2,3,4,7,8,9,10,11-octahydro-1H-2-benzazacyclopentadecine-1,12(13H)-dione |
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 | | S3G | | Name: | 5-[(2S)-4-methyl-2-[(pyridin-4-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid | | Formula: | C21 H24 N2 O5 | | SMILES: | O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)c3ccncc3 | | InChi: | InChI=1S/C21H24N2O5/c1-13(2)9-14(11-23-20(24)15-5-7-22-8-6-15)10-16-3-4-17-19(28-12-27-17)18(16)21(25)26/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)(H,25,26)/t14-/m0/s1 | | Definition date: | 2013-12-19 | | Last modified: | 2014-09-05 | | Release date: | 2014-01-08 | | Identifier: | 5-[(2S)-4-methyl-2-{[(pyridin-4-ylcarbonyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid |
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 | | BR8 | | Name: | BARBITURIC ACID | | Formula: | C4 H4 N2 O3 | | SMILES: | O=C1NC(=O)NC(=O)C1 | | InChi: | InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9) | | Definition date: | 2012-12-19 | | Last modified: | 2014-09-05 | | Release date: | 2013-05-22 | | Identifier: | pyrimidine-2,4,6(1H,3H,5H)-trione |
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 | | S61 | | Name: | (S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid | | Formula: | C20 H18 F N3 O4 | | SMILES: | O=C(O)CC(c1ccccc1C)NC(=O)C3=CC(=O)N(c2c(F)cccc2)N3 | | InChi: | InChI=1S/C20H18FN3O4/c1-12-6-2-3-7-13(12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-9-5-4-8-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1 | | Definition date: | 2012-06-22 | | Last modified: | 2014-09-05 | | Release date: | 2012-09-21 | | Identifier: | (3S)-3-({[1-(2-fluorophenyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid |
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