 | | 1VM | | Name: | 7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine | | Formula: | C20 H17 N7 S | | SMILES: | n1ccsc1c2nc5c(n2c4cc3nc(nc(N)c3cc4)N)cc(c(c5)C)C | | InChi: | InChI=1S/C20H17N7S/c1-10-7-15-16(8-11(10)2)27(18(24-15)19-23-5-6-28-19)12-3-4-13-14(9-12)25-20(22)26-17(13)21/h3-9H,1-2H3,(H4,21,22,25,26) | | Definition date: | 2013-06-20 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | 7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine |
|
 | | 1VN | | Name: | 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine | | Formula: | C20 H16 Cl N7 S | | SMILES: | Clc5cc1c(nc(nc1N)N)cc5n2c4c(nc2c3nccs3)cc(c(c4)C)C | | InChi: | InChI=1S/C20H16ClN7S/c1-9-5-14-16(6-10(9)2)28(18(25-14)19-24-3-4-29-19)15-8-13-11(7-12(15)21)17(22)27-20(23)26-13/h3-8H,1-2H3,(H4,22,23,26,27) | | Definition date: | 2013-06-20 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine |
|
 | | 1VO | | Name: | 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine | | Formula: | C20 H17 N7 S | | SMILES: | n5c(c1nc4c(n1c3cc2nc(nc(N)c2cc3)N)cc(c(c4)C)C)csc5 | | InChi: | InChI=1S/C20H17N7S/c1-10-5-15-17(6-11(10)2)27(19(24-15)16-8-28-9-23-16)12-3-4-13-14(7-12)25-20(22)26-18(13)21/h3-9H,1-2H3,(H4,21,22,25,26) | | Definition date: | 2013-06-20 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine |
|
 | | 1VW | | Name: | 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione | | Formula: | C26 H26 N6 O3 | | SMILES: | O=C2c1ccccc1C(=O)N2CC6c3ccccc3CCN6C(=O)C5CCCCC5c4nnnn4 | | InChi: | InChI=1S/C26H26N6O3/c33-24(19-10-4-3-9-18(19)23-27-29-30-28-23)31-14-13-16-7-1-2-8-17(16)22(31)15-32-25(34)20-11-5-6-12-21(20)26(32)35/h1-2,5-8,11-12,18-19,22H,3-4,9-10,13-15H2,(H,27,28,29,30)/t18-,19+,22+/m0/s1 | | Definition date: | 2013-06-24 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
|
 | | 1VX | | Name: | (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | | Formula: | C27 H30 N2 O4 | | SMILES: | O=C(O)C5CCCCC5C(=O)N2C(c1c(c(ccc1)C)CC2)CN4C(=O)c3ccccc3C4 | | InChi: | InChI=1S/C27H30N2O4/c1-17-7-6-12-21-19(17)13-14-29(26(31)22-10-4-5-11-23(22)27(32)33)24(21)16-28-15-18-8-2-3-9-20(18)25(28)30/h2-3,6-9,12,22-24H,4-5,10-11,13-16H2,1H3,(H,32,33)/t22-,23+,24-/m1/s1 | | Definition date: | 2013-06-24 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid |
|
 | | M95 | | Name: | (2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide | | Formula: | C20 H19 N3 O3 | | SMILES: | O=C3N=C(C=CC(=O)NC(Cc1ccccc1)CO)Nc2ccccc23 | | InChi: | InChI=1S/C20H19N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-11,15,24H,12-13H2,(H,21,25)(H,22,23,26)/b11-10+/t15-/m0/s1 | | Definition date: | 2013-06-17 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | (2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide |
|
 | | ML6 | | Name: | 7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine | | Formula: | C19 H20 F N3 | | SMILES: | Fc1cccc(c1)CCCNCc2cc3nc(ccc3cc2)N | | InChi: | InChI=1S/C19H20FN3/c20-17-5-1-3-14(11-17)4-2-10-22-13-15-6-7-16-8-9-19(21)23-18(16)12-15/h1,3,5-9,11-12,22H,2,4,10,13H2,(H2,21,23) | | Definition date: | 2013-10-09 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | 7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine |
|
 | | M00 | | Name: | N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide | | Formula: | C15 H19 N3 O3 | | SMILES: | O=C(NC(CC)CO)CCC2=Nc1c(cccc1)C(=O)N2 | | InChi: | InChI=1S/C15H19N3O3/c1-2-10(9-19)16-14(20)8-7-13-17-12-6-4-3-5-11(12)15(21)18-13/h3-6,10,19H,2,7-9H2,1H3,(H,16,20)(H,17,18,21)/t10-/m0/s1 | | Definition date: | 2013-06-17 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide |
|
 | | M7K | | Name: | 7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine | | Formula: | C18 H18 F N3 | | SMILES: | Fc1cccc(c1)CNCCc2cc3nc(ccc3cc2)N | | InChi: | InChI=1S/C18H18FN3/c19-16-3-1-2-14(10-16)12-21-9-8-13-4-5-15-6-7-18(20)22-17(15)11-13/h1-7,10-11,21H,8-9,12H2,(H2,20,22) | | Definition date: | 2013-10-09 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | 7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine |
|
 | | 2FS | | Name: | (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | | Formula: | C26 H28 N2 O4 | | SMILES: | O=C(O)C5CCCCC5C(=O)N2C(c1c(cccc1)CC2)CN4C(=O)c3ccccc3C4 | | InChi: | InChI=1S/C26H28N2O4/c29-24-20-10-4-2-8-18(20)15-27(24)16-23-19-9-3-1-7-17(19)13-14-28(23)25(30)21-11-5-6-12-22(21)26(31)32/h1-4,7-10,21-23H,5-6,11-16H2,(H,31,32)/t21-,22+,23-/m1/s1 | | Definition date: | 2013-10-10 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid |
|
 | | D87 | | Name: | 2-butylfuro[2,3-c]quinolin-4-amine | | Formula: | C15 H16 N2 O | | SMILES: | n3c1ccccc1c2c(oc(c2)CCCC)c3N | | InChi: | InChI=1S/C15H16N2O/c1-2-3-6-10-9-12-11-7-4-5-8-13(11)17-15(16)14(12)18-10/h4-5,7-9H,2-3,6H2,1H3,(H2,16,17) | | Definition date: | 2013-12-12 | | Last modified: | 2014-02-14 | | Release date: | 2014-02-19 | | Identifier: | 2-butylfuro[2,3-c]quinolin-4-amine |
|
 | | KV1 | | Name: | N-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide | | Formula: | C23 H27 N5 O4 | | SMILES: | O=C(NCC)C4N(C(=O)c1c2ccccc2oc1)CC(NC(=O)c3cc(nn3C)CC)C4 | | InChi: | InChI=1S/C23H27N5O4/c1-4-14-10-18(27(3)26-14)22(30)25-15-11-19(21(29)24-5-2)28(12-15)23(31)17-13-32-20-9-7-6-8-16(17)20/h6-10,13,15,19H,4-5,11-12H2,1-3H3,(H,24,29)(H,25,30)/t15-,19+/m1/s1 | | Definition date: | 2014-01-29 | | Last modified: | 2014-02-07 | | Release date: | 2014-02-12 | | Identifier: | (4R)-1-(1-benzofuran-3-ylcarbonyl)-N-ethyl-4-{[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-L-prolinamide |
|
 | | 1T5 | | Name: | 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid | | Formula: | C36 H37 N5 O4 | | SMILES: | O=C(O)c1cc(C(=O)N)ccc1c2cc(cc(NC(=O)CC(C)C)c2)C5Nc3ccc(C(=[N@H])N)cc3C(c4ccccc4)(C5)C | | InChi: | InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)/t31-,36+/m0/s1 | | Definition date: | 2013-10-29 | | Last modified: | 2014-02-07 | | Release date: | 2014-02-12 | | Identifier: | 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid |
|
 | | 1T7 | | Name: | 3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid | | Formula: | C29 H26 N4 O2 | | SMILES: | O=C(O)c1ccccc1c2cc(cc(N)c2)C5Nc3ccc(C(=[N@H])N)cc3C(c4ccccc4)C5 | | InChi: | InChI=1S/C29H26N4O2/c30-21-13-19(22-8-4-5-9-23(22)29(34)35)12-20(14-21)27-16-24(17-6-2-1-3-7-17)25-15-18(28(31)32)10-11-26(25)33-27/h1-15,24,27,33H,16,30H2,(H3,31,32)(H,34,35)/t24-,27+/m1/s1 | | Definition date: | 2013-11-04 | | Last modified: | 2014-02-07 | | Release date: | 2014-02-12 | | Identifier: | 3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid |
|
 | | RUX | | Name: | [4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium | | Formula: | C29 H24 N4 O5 Ru | | SMILES: | O=C(Oc1c(OC)cccc1OC)C2(C=CC=C2)[Ru]5([C-]#[O+])n6c(c4cc3c(nc(nc3cc45)C)N)cccc6 | | InChi: | InChI=1S/C14H11N4.C14H13O4.CO.Ru/c1-9-17-13-6-5-10(8-11(13)14(15)18-9)12-4-2-3-7-16-12 | | Definition date: | 2013-09-19 | | Last modified: | 2014-02-07 | | Release date: | 2014-02-12 | | Identifier: | [4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium |
|
 | | RO9 | | Name: | 1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine | | Formula: | C20 H18 N4 O | | SMILES: | n2c(c1cccc(OC)c1)c4c(cc2Nc3nnc(c3)C)cccc4 | | InChi: | InChI=1S/C20H18N4O/c1-13-10-19(24-23-13)21-18-12-14-6-3-4-9-17(14)20(22-18)15-7-5-8-16(11-15)25-2/h3-12H,1-2H3,(H2,21,22,23,24) | | Definition date: | 2013-06-09 | | Last modified: | 2014-01-31 | | Release date: | 2014-02-05 | | Identifier: | 1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine |
|
 | | 1ES | | Name: | 2-(1-methyl-1H-indol-3-yl)ethanamine | | Formula: | C11 H14 N2 | | SMILES: | c1cccc2c1c(cn2C)CCN | | InChi: | InChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3 | | Definition date: | 2013-01-08 | | Last modified: | 2014-01-24 | | Release date: | 2014-01-29 | | Identifier: | 2-(1-methyl-1H-indol-3-yl)ethanamine |
|
 | | 2O3 | | Name: | (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide | | Formula: | C22 H26 N4 O2 | | SMILES: | O=C2Nc1cccc(c1NC2C)C(=O)NCCCN4c3ccccc3CCC4 | | InChi: | InChI=1S/C22H26N4O2/c1-15-21(27)25-18-10-4-9-17(20(18)24-15)22(28)23-12-6-14-26-13-5-8-16-7-2-3-11-19(16)26/h2-4,7,9-11,15,24H,5-6,8,12-14H2,1H3,(H,23,28)(H,25,27)/t15-/m1/s1 | | Definition date: | 2013-12-12 | | Last modified: | 2014-01-24 | | Release date: | 2014-01-29 | | Identifier: | (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide |
|
 | | 2O4 | | Name: | (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide | | Formula: | C23 H28 N4 O3 | | SMILES: | O=C2Nc1cccc(c1NC2C)C(=O)NCCCN4c3cc(OC)ccc3CCC4 | | InChi: | InChI=1S/C23H28N4O3/c1-15-22(28)26-19-8-3-7-18(21(19)25-15)23(29)24-11-5-13-27-12-4-6-16-9-10-17(30-2)14-20(16)27/h3,7-10,14-15,25H,4-6,11-13H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | | Definition date: | 2013-12-12 | | Last modified: | 2014-01-24 | | Release date: | 2014-01-29 | | Identifier: | (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide |
|
 | | LM5 | | Name: | (3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide | | Formula: | C13 H18 N2 O3 | | SMILES: | O=C(NCc1ccccc1)C2NC(C)C(O)C2O | | InChi: | InChI=1S/C13H18N2O3/c1-8-11(16)12(17)10(15-8)13(18)14-7-9-5-3-2-4-6-9/h2-6,8,10-12,15-17H,7H2,1H3,(H,14,18)/t8-,10+,11+,12-/m0/s1 | | Definition date: | 2013-03-22 | | Last modified: | 2014-01-17 | | Release date: | 2014-01-22 | | Identifier: | (3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide |
|
 | | 2KE | | Name: | (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide | | Formula: | C29 H33 N5 O5 S | | SMILES: | O=S(=O)(N)c1cccc(c1)CNC(=O)C(c2ccc(OC(C)C)c(OCC)c2)Nc4cc3ccnc(c3cc4)N | | InChi: | InChI=1S/C29H33N5O5S/c1-4-38-26-16-21(8-11-25(26)39-18(2)3)27(34-22-9-10-24-20(15-22)12-13-32-28(24)30)29(35)33-17-19-6-5-7-23(14-19)40(31,36)37/h5-16,18,27,34H,4,17H2,1-3H3,(H2,30,32)(H,33,35)(H2,31,36,37)/t27-/m1/s1 | | Definition date: | 2013-11-18 | | Last modified: | 2014-01-03 | | Release date: | 2014-01-08 | | Identifier: | (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide |
|
 | | 2KF | | Name: | (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide | | Formula: | C32 H38 N4 O5 S | | SMILES: | O=S(=O)(c1ccccc1CNC(=O)C(c2ccc(OC(C)C)c(OCC)c2)Nc4cc3ccnc(c3cc4)N)C(C)C | | InChi: | InChI=1S/C32H38N4O5S/c1-6-40-28-18-23(11-14-27(28)41-20(2)3)30(36-25-12-13-26-22(17-25)15-16-34-31(26)33)32(37)35-19-24-9-7-8-10-29(24)42(38,39)21(4)5/h7-18,20-21,30,36H,6,19H2,1-5H3,(H2,33,34)(H,35,37)/t30-/m1/s1 | | Definition date: | 2013-11-18 | | Last modified: | 2014-01-03 | | Release date: | 2014-01-08 | | Identifier: | (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide |
|
 | | 8HC | | Name: | 8-hydroxyquinoline-2-carboxylic acid | | Formula: | C10 H7 N O3 | | SMILES: | O=C(O)c1nc2c(O)cccc2cc1 | | InChi: | InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14) | | Definition date: | 2013-08-08 | | Last modified: | 2014-01-03 | | Release date: | 2014-01-08 | | Identifier: | 8-hydroxyquinoline-2-carboxylic acid |
|
 | | XXK | | Name: | 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol | | Formula: | C19 H17 N5 O3 | | SMILES: | n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cc(N)cc(O)c5 | | InChi: | InChI=1S/C19H17N5O3/c20-12-8-11(9-13(25)10-12)17-22-15-14-2-1-3-21-19(14)27-16(15)18(23-17)24-4-6-26-7-5-24/h1-3,8-10,25H,4-7,20H2 | | Definition date: | 2013-06-18 | | Last modified: | 2013-12-27 | | Release date: | 2014-01-01 | | Identifier: | 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol |
|
 | | 2EY | | Name: | 4-{(1R)-1-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1H)-one | | Formula: | C19 H15 Cl N4 O2 | | SMILES: | O=C4Nc1ccccc1C(OC(c3nnn(c2ccc(Cl)cc2)c3)C)=C4 | | InChi: | InChI=1S/C19H15ClN4O2/c1-12(17-11-24(23-22-17)14-8-6-13(20)7-9-14)26-18-10-19(25)21-16-5-3-2-4-15(16)18/h2-12H,1H3,(H,21,25)/t12-/m1/s1 | | Definition date: | 2013-10-03 | | Last modified: | 2013-12-27 | | Release date: | 2014-01-01 | | Identifier: | 4-{(1R)-1-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1H)-one |
|
