 | | MQ1 | | Name: | 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE | | Formula: | C15 H14 N4 O2 | | SMILES: | n3c2c(c(Oc1ccc(OC)cc1)ccc2)c(nc3N)N | | InChi: | InChI=1S/C15H14N4O2/c1-20-9-5-7-10(8-6-9)21-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19) | | Definition date: | 2002-08-19 | | Last modified: | 2011-06-04 | | Identifier: | 5-(4-methoxyphenoxy)quinazoline-2,4-diamine |
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 | | MQI | | Name: | 8-HYDROSULFONYL-2-METHYLQUINOLINE | | Formula: | C10 H9 N O2 S | | SMILES: | O=S(=O)c1cccc2cc(cnc12)C | | InChi: | InChI=1S/C10H9NO2S/c1-7-5-8-3-2-4-9(14(12)13)10(8)11-6-7/h2-6,14H,1H3 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 8-(dioxidosulfanyl)-3-methylquinoline |
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 | | MQQ | | Name: | N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-4-CARBOXAMIDE | | Formula: | C32 H39 N3 O7 S2 | | SMILES: | O=C(NC(C(=O)NC(CCS(=O)(=O)c1ccccc1)CCc2ccccc2)CCS(=O)(=O)c3ccccc3)N4CCOCC4 | | InChi: | InChI=1S/C32H39N3O7S2/c36-31(30(34-32(37)35-20-22-42-23-21-35)19-25-44(40,41)29-14-8-3-9-15-29)33-27(17-16-26-10-4-1-5-11-26)18-24-43(38,39)28-12-6-2-7-13-28/h1-15,27,30H,16-25H2,(H,33,36)(H,34,37)/t27-,30-/m0/s1 | | Definition date: | 2006-03-13 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1S)-1-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}carbamoyl)-3-(phenylsulfonyl)propyl]morpholine-4-carboxamide |
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 | | MQU | | Name: | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE | | Formula: | C15 H19 N5 O2 | | SMILES: | n3c2ccc1c(ccn1C(COC)COC)c2c(nc3N)N | | InChi: | InChI=1S/C15H19N5O2/c1-21-7-9(8-22-2)20-6-5-10-12(20)4-3-11-13(10)14(16)19-15(17)18-11/h3-6,9H,7-8H2,1-2H3,(H4,16,17,18,19) | | Definition date: | 2002-07-19 | | Last modified: | 2011-06-04 | | Identifier: | 7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine |
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 | | MQY | | Name: | (5S)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione | | Formula: | C21 H16 F3 N3 O4 S | | SMILES: | FC(F)(F)S(=O)(=O)c4ccc(N3C(=O)N(Cc1ccnc2c1cccc2)C(C3=O)C)cc4 | | InChi: | InChI=1S/C21H16F3N3O4S/c1-13-19(28)27(15-6-8-16(9-7-15)32(30,31)21(22,23)24)20(29)26(13)12-14-10-11-25-18-5-3-2-4-17(14)18/h2-11,13H,12H2,1H3/t13-/m0/s1 | | Definition date: | 2010-08-09 | | Last modified: | 2011-06-04 | | Identifier: | (5S)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione |
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 | | MR9 | | Name: | 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | | Formula: | C29 H27 F3 N6 O3 | | SMILES: | FC(F)(F)c2cc(c(N1CCOCC1)cc2)NC(=O)c5ccc(c(Oc4ncccc4c3nc(ncc3)NC)c5)C | | InChi: | InChI=1S/C29H27F3N6O3/c1-18-5-6-19(16-25(18)41-27-21(4-3-10-34-27)22-9-11-35-28(33-2)37-22)26(39)36-23-17-20(29(30,31)32)7-8-24(23)38-12-14-40-15-13-38/h3-11,16-17H,12-15H2,1-2H3,(H,36,39)(H,33,35,37) | | Definition date: | 2007-03-13 | | Last modified: | 2011-06-04 | | Identifier: | 4-methyl-3-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide |
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 | | MSQ | | Name: | 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE | | Formula: | C17 H17 N3 O2 S | | SMILES: | n2c1c(cc(OC)c(OC)c1)c(nc2)Nc3cccc(SC)c3 | | InChi: | InChI=1S/C17H17N3O2S/c1-21-15-8-13-14(9-16(15)22-2)18-10-19-17(13)20-11-5-4-6-12(7-11)23-3/h4-10H,1-3H3,(H,18,19,20) | | Definition date: | 1999-12-07 | | Last modified: | 2011-06-04 | | Identifier: | 6,7-dimethoxy-N-[3-(methylsulfanyl)phenyl]quinazolin-4-amine |
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 | | MT3 | | Name: | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one | | Formula: | C29 H24 F N3 O4 | | SMILES: | Fc5c(Oc1c2cc(OC)c(OC)cc2ncc1)ccc(C3=CN=C(N(C3=O)C)Cc4ccccc4)c5 | | InChi: | InChI=1S/C29H24FN3O4/c1-33-28(13-18-7-5-4-6-8-18)32-17-21(29(33)34)19-9-10-25(22(30)14-19)37-24-11-12-31-23-16-27(36-3)26(35-2)15-20(23)24/h4-12,14-17H,13H2,1-3H3 | | Definition date: | 2008-09-15 | | Last modified: | 2011-06-04 | | Identifier: | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one |
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 | | MT4 | | Name: | 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one | | Formula: | C28 H22 F2 N4 O4 | | SMILES: | Fc5c(Oc1c2cc(OC)c(OC)cc2ncc1)ccc(C4=CN=C(Nc3ccc(F)cc3)N(C4=O)C)c5 | | InChi: | InChI=1S/C28H22F2N4O4/c1-34-27(35)20(15-32-28(34)33-18-7-5-17(29)6-8-18)16-4-9-24(21(30)12-16)38-23-10-11-31-22-14-26(37-3)25(36-2)13-19(22)23/h4-15H,1-3H3,(H,32,33) | | Definition date: | 2008-09-15 | | Last modified: | 2011-06-04 | | Identifier: | 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one |
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 | | MTZ | | Name: | 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE | | Formula: | C18 H20 N6 O S | | SMILES: | N2=C(c1sc(nc1C)N)CC=NC/2=Nc4ccc(N3CCOCC3)cc4 | | InChi: | InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-5,7H,6,8-11H2,1H3,(H2,19,21)/b22-18- | | Definition date: | 2005-11-01 | | Last modified: | 2011-06-04 | | Identifier: | 4-methyl-5-{(2Z)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine |
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 | | MU1 | | Name: | N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-5-YL]CARBONYL}AMINO)-1-BENZYL-3-HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE | | Formula: | C37 H44 N4 O7 | | SMILES: | O=C4OC(C(=O)NC(Cc1ccccc1)C(O)CC(NC(=O)C(NC(=O)C)C(C)C)Cc2ccccc2)CN4c3cccc(C(=O)C)c3 | | InChi: | InChI=1S/C37H44N4O7/c1-23(2)34(38-25(4)43)36(46)39-29(18-26-12-7-5-8-13-26)21-32(44)31(19-27-14-9-6-10-15-27)40-35(45)33-22-41(37(47)48-33)30-17-11-16-28(20-30)24(3)42/h5-17,20,23,29,31-34,44H,18-19,21-22H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t29-,31-,32-,33-,34-/m0/s1 | | Definition date: | 2007-06-01 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-acetyl-N-[(1S,3S,4S)-4-({[(5S)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-1-benzyl-3-hydroxy-5-phenylpentyl]-L-valinamide |
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 | | MXC | | Name: | (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid | | Formula: | C16 H18 N4 O8 S | | SMILES: | O=C(OCC(S(=O)O)(C)C(C(=O)O)Nc2c(cc1cc(ccn12)C(=O)N)C=O)N | | InChi: | InChI=1S/C16H18N4O8S/c1-16(29(26)27,7-28-15(18)25)11(14(23)24)19-13-9(6-21)5-10-4-8(12(17)22)2-3-20(10)13/h2-6,11,19H,7H2,1H3,(H2,17,22)(H2,18,25)(H,23,24)(H,26,27)/t11-,16-/m0/s1 | | Definition date: | 2009-01-28 | | Last modified: | 2011-06-04 | | Identifier: | (3R)-N-(7-carbamoyl-2-formylindolizin-3-yl)-4-(carbamoyloxy)-3-sulfino-D-valine |
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 | | 9NV | | Name: | DANSYL-L-NORVALINE | | Formula: | C17 H22 N2 O4 S | | SMILES: | O=C(O)C(NS(=O)(=O)c1cccc2c1cccc2N(C)C)CCC | | InChi: | InChI=1S/C17H22N2O4S/c1-4-7-14(17(20)21)18-24(22,23)16-11-6-8-12-13(16)9-5-10-15(12)19(2)3/h5-6,8-11,14,18H,4,7H2,1-3H3,(H,20,21)/t14-/m0/s1 | | Definition date: | 2010-10-28 | | Last modified: | 2011-06-04 | | Identifier: | N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-norvaline |
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 | | MXS | | Name: | (2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid | | Formula: | C16 H19 N3 O7 S | | SMILES: | O=C(O)C(Nc2c(cc1cc(ccn12)NC(=O)OC)C=O)C(S(=O)O)(C)C | | InChi: | InChI=1S/C16H19N3O7S/c1-16(2,27(24)25)12(14(21)22)18-13-9(8-20)6-11-7-10(4-5-19(11)13)17-15(23)26-3/h4-8,12,18H,1-3H3,(H,17,23)(H,21,22)(H,24,25)/t12-/m0/s1 | | Definition date: | 2009-01-23 | | Last modified: | 2011-06-04 | | Identifier: | N-{2-formyl-7-[(methoxycarbonyl)amino]indolizin-3-yl}-3-sulfino-D-valine |
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 | | 600 | | Name: | 6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID | | Formula: | C43 H42 F2 N4 O7 P2 | | SMILES: | O=P(O)(O)c1c7nc(ccc7cc(c1)c2ccc(cc2)CC(c3ccccc3)(n5nnc4ccccc45)Cc6ccc(cc6)C(F)(F)P(=O)(O)O)C(OC)CC(C)C | | InChi: | InChI=1S/C43H42F2N4O7P2/c1-28(2)23-39(56-3)37-22-19-32-24-33(25-40(41(32)46-37)57(50,51)52)31-17-13-29(14-18-31)26-42(34-9-5-4-6-10-34,49-38-12-8-7-11-36(38)47-48-49)27-30-15-20-35(21-16-30)43(44,45)58(53,54)55/h4-22,24-25,28,39H,23,26-27H2,1-3H3,(H2,50,51,52)(H2,53,54,55)/t39-,42+/m0/s1 | | Definition date: | 2003-08-19 | | Last modified: | 2011-06-04 | | Identifier: | (6-{4-[(2R)-2-(1H-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-[(1S)-1-methoxy-3-methylbutyl]quinolin-8-yl)phosphonic acid |
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 | | 609 | | Name: | 7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid | | Formula: | C19 H10 N2 O3 | | SMILES: | O=C(O)c5c3cccc4C(=O)n1c(nc2ccccc12)c(c34)cc5 | | InChi: | InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24) | | Definition date: | 2008-11-04 | | Last modified: | 2011-06-04 | | Identifier: | 7-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3-carboxylic acid |
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 | | 615 | | Name: | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide | | Formula: | C28 H25 N3 O4 | | SMILES: | O=C(NO)C1CC1(C(=O)N)Cc5ccc(OCc2c4ccccc4nc(c2)c3ccccc3)cc5 | | InChi: | InChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1 | | Definition date: | 2008-08-22 | | Last modified: | 2011-06-04 | | Identifier: | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide |
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 | | 61X | | Name: | 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline | | Formula: | C23 H16 F3 N O3 S | | SMILES: | O=S(=O)(c4cccc(Oc3cccc(c1c2cccc(c2ncc1)C(F)(F)F)c3)c4)C | | InChi: | InChI=1S/C23H16F3NO3S/c1-31(28,29)18-8-3-7-17(14-18)30-16-6-2-5-15(13-16)19-11-12-27-22-20(19)9-4-10-21(22)23(24,25)26/h2-14H,1H3 | | Definition date: | 2009-10-29 | | Last modified: | 2011-06-04 | | Identifier: | 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline |
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 | | 635 | | Name: | 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate | | Formula: | C32 H38 F N3 O5 | | SMILES: | CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c3cc(F)ccc23)C(=O)c4ccc(OCCCN5CCOCC5)cc4 | | InChi: | InChI=1S/C32H38FN3O5/c1-21(2)41-31(38)26-19-36(20-32(3,4)28-25-11-8-23(33)18-27(25)34-29(26)28)30(37)22-6-9-24(10-7-22)40-15-5-12-35-13-16-39-17-14-35/h6-11,18-19,21,34H,5,12-17,20H2,1-4H3 | | Definition date: | 2009-12-17 | | Last modified: | 2011-06-04 | | Identifier: | propan-2-yl 8-fluoro-1,1-dimethyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate |
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 | | 642 | | Name: | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | | Formula: | C29 H24 N2 O4 | | SMILES: | O=C5NC(c4ccc(OCc2c3ccccc3nc(c1ccccc1)c2)cc4)CC56C(C(=O)O)C6 | | InChi: | InChI=1S/C29H24N2O4/c32-27(33)23-15-29(23)16-26(31-28(29)34)19-10-12-21(13-11-19)35-17-20-14-25(18-6-2-1-3-7-18)30-24-9-5-4-8-22(20)24/h1-14,23,26H,15-17H2,(H,31,34)(H,32,33)/t23-,26+,29-/m1/s1 | | Definition date: | 2008-10-27 | | Last modified: | 2011-06-04 | | Identifier: | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid |
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 | | 682 | | Name: | N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE | | Formula: | C15 H27 N7 O3 S | | SMILES: | O=C(N)NC(C(=O)NC(C(O)c1nccs1)CCCNC(=[N@H])N)C(C)C | | InChi: | InChI=1S/C15H27N7O3S/c1-8(2)10(22-15(18)25)12(24)21-9(4-3-5-20-14(16)17)11(23)13-19-6-7-26-13/h6-11,23H,3-5H2,1-2H3,(H,21,24)(H4,16,17,20)(H3,18,22,25)/t9-,10-,11-/m0/s1 | | Definition date: | 2006-01-10 | | Last modified: | 2011-06-04 | | Identifier: | N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-N~2~-carbamoyl-L-valinamide |
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 | | 6C3 | | Name: | 6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE | | Formula: | C19 H13 Cl N2 O2 | | SMILES: | Clc1cc2C(=C(C(=O)Nc2cc1)c3onc(c3)C)c4ccccc4 | | InChi: | InChI=1S/C19H13ClN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23) | | Definition date: | 2006-08-14 | | Last modified: | 2011-06-04 | | Identifier: | 6-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1H)-one |
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 | | 6CP | | Name: | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE | | Formula: | C18 H20 Cl N5 O | | SMILES: | Clc1cccc(c1)Nc3nc(OCC2CCCCC2)c4c(n3)ncn4 | | InChi: | InChI=1S/C18H20ClN5O/c19-13-7-4-8-14(9-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,20,21,22,23,24) | | Definition date: | 2002-07-21 | | Last modified: | 2011-06-04 | | Identifier: | N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine |
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 | | CD2 | | Name: | 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid | | Formula: | C20 H17 N5 O2 | | SMILES: | O=C(O)c1cc(nn1CCN)c4ccnc(c2cc3ccccc3nc2)c4 | | InChi: | InChI=1S/C20H17N5O2/c21-6-8-25-19(20(26)27)11-18(24-25)14-5-7-22-17(10-14)15-9-13-3-1-2-4-16(13)23-12-15/h1-5,7,9-12H,6,8,21H2,(H,26,27) | | Definition date: | 2011-03-18 | | Last modified: | 2011-06-04 | | Identifier: | 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid |
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 | | CDH | | Name: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE | | Formula: | C14 H23 N3 O6 S | | SMILES: | O=C(NC(C(=C)C)C(=O)O)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H23N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h8-9,11,24H,1,3-6,15H2,2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8?,9?,11-/m1/s1 | | Definition date: | 2004-03-17 | | Last modified: | 2011-06-04 | | Identifier: | N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylprop-2-en-1-yl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxolysine |
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