 | | 2MQ | | Name: | 6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Formula: | C12 H15 N7 O | | SMILES: | O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCN)N | | InChi: | InChI=1S/C12H15N7O/c1-15-12-16-7-4-6-8(17-11(14)19-10(6)20)5(2-3-13)9(7)18-12/h4H,2-3,13H2,1H3,(H2,15,16,18)(H3,14,17,19,20) | | Definition date: | 2009-03-02 | | Last modified: | 2011-06-04 | | Identifier: | 6-amino-4-(2-aminoethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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 | | 976 | | Name: | (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid | | Formula: | C21 H20 Cl N O2 | | SMILES: | CCC[CH](C(O)=O)c1c(C)nc2ccc(Cl)cc2c1c3ccccc3 | | InChi: | InChI=1S/C21H20ClNO2/c1-3-7-16(21(24)25)19-13(2)23-18-11-10-15(22)12-17(18)20(19)14-8-5-4-6-9-14/h4-6,8-12,16H,3,7H2,1-2H3,(H,24,25)/t16-/m0/s1 | | Definition date: | 2010-02-19 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-(6-chloro-2-methyl-4-phenyl-quinolin-3-yl)pentanoic acid |
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 | | JZO | | Name: | 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one | | Formula: | C21 H20 N4 O2 | | SMILES: | O=C3C(=C(c1ccc2nccnc2c1)N(N3C)C)c4cccc(c4)COC | | InChi: | InChI=1S/C21H20N4O2/c1-24-20(16-7-8-17-18(12-16)23-10-9-22-17)19(21(26)25(24)2)15-6-4-5-14(11-15)13-27-3/h4-12H,13H2,1-3H3 | | Definition date: | 2009-10-22 | | Last modified: | 2011-06-04 | | Identifier: | 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-(quinoxalin-6-yl)-1,2-dihydro-3H-pyrazol-3-one |
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 | | AFQ | | Name: | 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Formula: | C18 H25 N7 O | | SMILES: | O=C1c3c(N=C(N1)N)c(c2nc(NC)nc2c3)CCNCC4CCCC4 | | InChi: | InChI=1S/C18H25N7O/c1-20-18-22-13-8-12-14(23-17(19)25-16(12)26)11(15(13)24-18)6-7-21-9-10-4-2-3-5-10/h8,10,21H,2-7,9H2,1H3,(H2,20,22,24)(H3,19,23,25,26) | | Definition date: | 2009-03-02 | | Last modified: | 2011-06-04 | | Identifier: | 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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 | | P39 | | Name: | 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | | Formula: | C34 H35 N7 O3 | | SMILES: | O=C(NC(c1ccccc1)C)c6c(c2n(ncnc2Nc3c(ccc(c3)NC(=O)c4cc(ccc4)N5CCOCC5)C)c6)C | | InChi: | InChI=1S/C34H35N7O3/c1-22-12-13-27(38-33(42)26-10-7-11-28(18-26)40-14-16-44-17-15-40)19-30(22)39-32-31-23(2)29(20-41(31)36-21-35-32)34(43)37-24(3)25-8-5-4-6-9-25/h4-13,18-21,24H,14-17H2,1-3H3,(H,37,43)(H,38,42)(H,35,36,39)/t24-/m0/s1 | | Definition date: | 2008-01-16 | | Last modified: | 2011-06-04 | | Identifier: | 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide |
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 | | MI6 | | Name: | (2'R,3R,4'R,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide | | Formula: | C29 H35 Cl2 F N4 O3 | | SMILES: | CC(C)(C)C[CH]1N[CH]([CH](c2cccc(Cl)c2F)[C]13C(=O)Nc4cc(Cl)ccc34)C(=O)NCCN5CCOCC5 | | InChi: | InChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23-,25-,29-/m1/s1 | | Definition date: | 2010-01-25 | | Last modified: | 2011-06-04 | | Identifier: | (2'R,3R,3'R,5'R)-6-chloro-3'-(3-chloro-2-fluoro-phenyl)-5'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-spiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide |
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 | | B10 | | Name: | N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide | | Formula: | C33 H39 N5 O5 S | | SMILES: | O=S(=O)(Nc1cc(cc(c1OC)NC(=O)Nc3c2c(cccc2)c(cc3)c4ccc(nc4)CN5CCOCC5)C(C)(C)C)C | | InChi: | InChI=1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39) | | Definition date: | 2009-03-20 | | Last modified: | 2011-06-04 | | Identifier: | N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide |
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