 | | FJ7 | | Name: | (1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid | | Formula: | C30 H31 F N4 O3 | | SMILES: | c1cccc(c1N2CCN(CC2)Cc3c(OC)ccc(c3)C6c5c(c4ccccc4n5)CC(N6)C(=O)O)F | | InChi: | InChI=1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25,28,32-33H,12-15,17-18H2,1H3,(H,36,37)/t25-,28+/m1/s1 | | Definition date: | 2018-04-02 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | (1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid |
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 | | FKG | | Name: | 3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | | Formula: | C16 H15 F3 N4 O2 | | SMILES: | c2(nn(C(c1ccc(C(F)(F)F)cc1)C)c3c2C(=O)NC(C)=N3)CO | | InChi: | InChI=1S/C16H15F3N4O2/c1-8(10-3-5-11(6-4-10)16(17,18)19)23-14-13(12(7-24)22-23)15(25)21-9(2)20-14/h3-6,8,24H,7H2,1-2H3,(H,20,21,25)/t8-/m0/s1 | | Definition date: | 2018-04-06 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | FKJ | | Name: | 3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | | Formula: | C15 H13 F3 N4 O3 | | SMILES: | c2(nn(C(c1ccc(C(F)(F)F)cc1)C)c3c2C(=O)NC(N3)=O)CO | | InChi: | InChI=1S/C15H13F3N4O3/c1-7(8-2-4-9(5-3-8)15(16,17)18)22-12-11(10(6-23)21-22)13(24)20-14(25)19-12/h2-5,7,23H,6H2,1H3,(H2,19,20,24,25)/t7-/m0/s1 | | Definition date: | 2018-04-06 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione |
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 | | FKV | | Name: | 3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | | Formula: | C16 H12 F6 N4 O2 | | SMILES: | c2(nn(C(c1ccc(C(F)(F)F)cc1)C)c3c2C(=O)NC(N3)=O)CC(F)(F)F | | InChi: | InChI=1S/C16H12F6N4O2/c1-7(8-2-4-9(5-3-8)16(20,21)22)26-12-11(13(27)24-14(28)23-12)10(25-26)6-15(17,18)19/h2-5,7H,6H2,1H3,(H2,23,24,27,28)/t7-/m0/s1 | | Definition date: | 2018-04-06 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione |
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 | | FMW | | Name: | ~{N}8-(2,2-dimethylpropyl)-~{N}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine | | Formula: | C24 H30 N8 O | | SMILES: | CCOc1cc(ccc1Nc2ncc3cc(C)nc(NCC(C)(C)C)c3n2)c4nncn4C | | InChi: | InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30) | | Definition date: | 2018-07-20 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | ~{N}8-(2,2-dimethylpropyl)-~{N}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine |
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 | | FV4 | | Name: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole | | Formula: | C20 H22 Cl F N4 | | SMILES: | n3c1ccc(cc1n(Cc2cc(c(c(C)c2)F)C)c3N4CCNCC4)Cl | | InChi: | InChI=1S/C20H22ClFN4/c1-13-9-15(10-14(2)19(13)22)12-26-18-11-16(21)3-4-17(18)24-20(26)25-7-5-23-6-8-25/h3-4,9-11,23H,5-8,12H2,1-2H3 | | Definition date: | 2018-04-20 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole |
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 | | FV7 | | Name: | 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole | | Formula: | C26 H25 Cl2 F N4 | | SMILES: | n4c2c(c1ccccc1Cl)cc(cc2n(Cc3cc(C)c(F)c(c3)C)c4N5CCNCC5)Cl | | InChi: | InChI=1S/C26H25Cl2FN4/c1-16-11-18(12-17(2)24(16)29)15-33-23-14-19(27)13-21(20-5-3-4-6-22(20)28)25(23)31-26(33)32-9-7-30-8-10-32/h3-6,11-14,30H,7-10,15H2,1-2H3 | | Definition date: | 2018-04-20 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole |
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 | | FVD | | Name: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole | | Formula: | C25 H29 Cl F N5 | | SMILES: | n3(c2cc(cc(C=1CCNCC=1)c2nc3N4CCNCC4)Cl)Cc5cc(C)c(c(c5)C)F | | InChi: | InChI=1S/C25H29ClFN5/c1-16-11-18(12-17(2)23(16)27)15-32-22-14-20(26)13-21(19-3-5-28-6-4-19)24(22)30-25(32)31-9-7-29-8-10-31/h3,11-14,28-29H,4-10,15H2,1-2H3 | | Definition date: | 2018-04-20 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole |
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 | | FVG | | Name: | 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine | | Formula: | C25 H32 Cl F N6 | | SMILES: | n4c2c(N1C(CCC1)CN)cc(cc2n(Cc3cc(c(c(C)c3)F)C)c4N5CCNCC5)Cl | | InChi: | InChI=1S/C25H32ClFN6/c1-16-10-18(11-17(2)23(16)27)15-33-22-13-19(26)12-21(32-7-3-4-20(32)14-28)24(22)30-25(33)31-8-5-29-6-9-31/h10-13,20,29H,3-9,14-15,28H2,1-2H3/t20-/m0/s1 | | Definition date: | 2018-04-20 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine |
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 | | FVJ | | Name: | 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole | | Formula: | C25 H28 Cl F N6 | | SMILES: | n4c2c(c1c(nnc1C)C)cc(cc2n(Cc3cc(c(c(C)c3)F)C)c4N5CCNCC5)Cl | | InChi: | InChI=1S/C25H28ClFN6/c1-14-9-18(10-15(2)23(14)27)13-33-21-12-19(26)11-20(22-16(3)30-31-17(22)4)24(21)29-25(33)32-7-5-28-6-8-32/h9-12,28H,5-8,13H2,1-4H3,(H,30,31) | | Definition date: | 2018-04-20 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole |
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 | | FVM | | Name: | 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole | | Formula: | C26 H28 Cl F N6 | | SMILES: | n4c2c(c1c(C)nnc1C)cc(cc2n(Cc3cc(C)c(c(C)c3)F)c4N6CC5(CNC5)C6)Cl | | InChi: | InChI=1S/C26H28ClFN6/c1-14-5-18(6-15(2)23(14)28)9-34-21-8-19(27)7-20(22-16(3)31-32-17(22)4)24(21)30-25(34)33-12-26(13-33)10-29-11-26/h5-8,29H,9-13H2,1-4H3,(H,31,32) | | Definition date: | 2018-04-20 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole |
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 | | FVY | | Name: | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine | | Formula: | C16 H15 Cl F N3 | | SMILES: | c1c(c(cc2nc(n(c12)Cc3ccc(c(c3)Cl)F)N)C)C | | InChi: | InChI=1S/C16H15ClFN3/c1-9-5-14-15(6-10(9)2)21(16(19)20-14)8-11-3-4-13(18)12(17)7-11/h3-7H,8H2,1-2H3,(H2,19,20) | | Definition date: | 2018-04-23 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine |
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 | | FW4 | | Name: | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole | | Formula: | C20 H22 Cl F N4 | | SMILES: | Cc2cc3n(Cc1cc(Cl)c(cc1)F)c(nc3cc2C)N4CCNCC4 | | InChi: | InChI=1S/C20H22ClFN4/c1-13-9-18-19(10-14(13)2)26(12-15-3-4-17(22)16(21)11-15)20(24-18)25-7-5-23-6-8-25/h3-4,9-11,23H,5-8,12H2,1-2H3 | | Definition date: | 2018-04-23 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole |
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 | | FW7 | | Name: | 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole | | Formula: | C18 H17 Cl2 F N4 | | SMILES: | c1c(cc(Cl)c(c1)F)Cn3c(nc2ccc(Cl)cc23)N4CCNCC4 | | InChi: | InChI=1S/C18H17Cl2FN4/c19-13-2-4-16-17(10-13)25(11-12-1-3-15(21)14(20)9-12)18(23-16)24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2 | | Definition date: | 2018-04-23 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole |
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 | | FWA | | Name: | 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole | | Formula: | C26 H32 Cl F N6 | | SMILES: | N1(CCN(CC1)C)c2cc(Cl)cc6c2nc(N3CC4(C3)CNC4)n6Cc5cc(C)c(c(C)c5)F | | InChi: | InChI=1S/C26H32ClFN6/c1-17-8-19(9-18(2)23(17)28)12-34-22-11-20(27)10-21(32-6-4-31(3)5-7-32)24(22)30-25(34)33-15-26(16-33)13-29-14-26/h8-11,29H,4-7,12-16H2,1-3H3 | | Definition date: | 2018-04-23 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole |
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 | | S77 | | Name: | 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine | | Formula: | C18 H19 F N6 | | SMILES: | Cn1cnnc1C2CCN(CC2)c3ncccc3c4ccc(F)nc4 | | InChi: | InChI=1S/C18H19FN6/c1-24-12-22-23-17(24)13-6-9-25(10-7-13)18-15(3-2-8-20-18)14-4-5-16(19)21-11-14/h2-5,8,11-13H,6-7,9-10H2,1H3 | | Definition date: | 2018-04-16 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine |
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 | | S0L | | Name: | 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide | | Formula: | C23 H21 N7 O | | SMILES: | N(c3cc(c1nncn1C2CC2)ccc3)C(=O)c4nccc(c4)n5cnc(c5)C6CC6 | | InChi: | InChI=1S/C23H21N7O/c31-23(20-11-19(8-9-24-20)29-12-21(25-13-29)15-4-5-15)27-17-3-1-2-16(10-17)22-28-26-14-30(22)18-6-7-18/h1-3,8-15,18H,4-7H2,(H,27,31) | | Definition date: | 2018-07-13 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide |
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 | | KK7 | | Name: | N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide | | Formula: | C15 H13 N5 O | | SMILES: | c3nc(C(Nc2cc(c1n(cnn1)C)ccc2)=O)ccc3 | | InChi: | InChI=1S/C15H13N5O/c1-20-10-17-19-14(20)11-5-4-6-12(9-11)18-15(21)13-7-2-3-8-16-13/h2-10H,1H3,(H,18,21) | | Definition date: | 2018-07-13 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide |
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 | | KK8 | | Name: | N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide | | Formula: | C22 H18 N6 O | | SMILES: | N(c3cc(c1nncn1C2CC2)ccc3)C(c4nccc(c4)c5cnccc5)=O | | InChi: | InChI=1S/C22H18N6O/c29-22(20-12-15(8-10-24-20)17-4-2-9-23-13-17)26-18-5-1-3-16(11-18)21-27-25-14-28(21)19-6-7-19/h1-5,8-14,19H,6-7H2,(H,26,29) | | Definition date: | 2018-07-13 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide |
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 | | 9M0 | | Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one | | Formula: | C22 H13 F N2 O4 S | | SMILES: | c56c(C(c1c(c(nc1c2sccn2)Cc4cc3OCOc3cc4)O5)=O)c(F)ccc6 | | InChi: | InChI=1S/C22H13FN2O4S/c23-12-2-1-3-15-17(12)20(26)18-19(22-24-6-7-30-22)25-13(21(18)29-15)8-11-4-5-14-16(9-11)28-10-27-14/h1-7,9,25H,8,10H2 | | Definition date: | 2018-05-31 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one |
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 | | 9T9 | | Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one | | Formula: | C29 H28 F N5 O4 S | | SMILES: | c1c(c7c(cc1NCCN2CCN(CC2)C)Oc3c(c(nc3Cc5cc4OCOc4cc5)c6nccs6)C7=O)F | | InChi: | InChI=1S/C29H28FN5O4S/c1-34-7-9-35(10-8-34)6-4-31-18-14-19(30)24-23(15-18)39-28-20(12-17-2-3-21-22(13-17)38-16-37-21)33-26(25(28)27(24)36)29-32-5-11-40-29/h2-3,5,11,13-15,31,33H,4,6-10,12,16H2,1H3 | | Definition date: | 2018-07-26 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one |
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 | | 9F0 | | Name: | 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline | | Formula: | C45 H63 N13 Pt3 | | SMILES: | NCCNCCN.NCCNCCN.NCCNCCN.[Pt][n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+]([Pt])cc4)c5ccc(cc5)c6cc[n+]([Pt])cc6 | | InChi: | InChI=1S/C33H24N4.3C4H13N3.3Pt/c1-7-31(8-2-25(1)28-13-19-34-20-14-28)37(32-9-3-26(4-10-32)29-15-21-35-22-16-29)33-11-5-27(6-12-33)30-17-23-36-24-18-30 | | Definition date: | 2018-03-31 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 4-[1-(2,5,8-triazonia-1$l^{4}-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-~{N},~{N}-bis[4-[1-(2,5,8-triazonia-1$l^{4}-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline |
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 | | BUH | | Name: | ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide | | Formula: | C19 H15 Cl F7 N5 O2 | | SMILES: | C[C]1(CO[C](C)(C(=N1)N)C(F)(F)F)c2nc(NC(=O)c3ncc(cc3Cl)C(F)(F)F)ccc2F | | InChi: | InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1 | | Definition date: | 2017-10-13 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide |
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 | | CGY | | Name: | (1R)-1,4-anhydro-2-deoxy-1-[2,6-diamino-5-(dihydroxyamino)pyridin-3-yl]-5-O-phosphono-D-erythro-pentitol | | Formula: | C10 H17 N4 O8 P | | SMILES: | c1(cc(c(N)nc1N)N(O)O)C2OC(C(C2)O)COP(=O)(O)O | | InChi: | InChI=1S/C10H17N4O8P/c11-9-4(1-5(14(16)17)10(12)13-9)7-2-6(15)8(22-7)3-21-23(18,19)20/h1,6-8,15-17H,2-3H2,(H4,11,12,13)(H2,18,19,20)/t6-,7+,8+/m0/s1 | | Definition date: | 2017-09-22 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | (1R)-1,4-anhydro-2-deoxy-1-[2,6-diamino-5-(dihydroxyamino)pyridin-3-yl]-5-O-phosphono-D-erythro-pentitol |
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 | | CJ1 | | Name: | 7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diol | | Formula: | C11 H14 N3 O8 P | | SMILES: | c3(nc2n(C1CC(C(COP(O)(=O)O)O1)O)ccc2c(n3)O)O | | InChi: | InChI=1S/C11H14N3O8P/c15-6-3-8(22-7(6)4-21-23(18,19)20)14-2-1-5-9(14)12-11(17)13-10(5)16/h1-2,6-8,15H,3-4H2,(H2,18,19,20)(H2,12,13,16,17)/t6-,7+,8+/m0/s1 | | Definition date: | 2017-09-22 | | Last modified: | 2018-09-14 | | Release date: | 2018-09-19 | | Identifier: | 7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diol |
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