![2P5 2P5](https://data.pdbj.org/pdbjplus/data/cc/svg/2P5.svg) | 2P5 | Name: | 4-tert-butyl-N-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7H-purin-2-yl)phenyl]benzamide | Formula: | C34 H35 N7 O3 | SMILES: | O=C(c5ccc(Nc2nc(nc1ncnc12)c4cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c4C)cc5)N6CCOCC6 | InChi: | InChI=1S/C34H35N7O3/c1-21-26(6-5-7-27(21)38-32(42)22-8-12-24(13-9-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-25-14-10-23(11-15-25)33(43)41-16-18-44-19-17-41/h5-15,20H,16-19H2,1-4H3,(H,38,42)(H2,35,36,37,39,40) | Definition date: | 2013-12-23 | Last modified: | 2014-03-28 | Release date: | 2014-04-02 | Identifier: | 4-tert-butyl-N-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7H-purin-2-yl)phenyl]benzamide |
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![2TZ 2TZ](https://data.pdbj.org/pdbjplus/data/cc/svg/2TZ.svg) | 2TZ | Name: | [(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | Formula: | C26 H31 Cl2 N O6 S | SMILES: | Clc1cccc(c1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C(CC)CS(=O)(=O)C(C)(C)C)CC(=O)O | InChi: | InChI=1S/C26H31Cl2NO6S/c1-5-20(15-36(33,34)26(2,3)4)29-23(16-9-11-18(27)12-10-16)24(17-7-6-8-19(28)13-17)35-21(25(29)32)14-22(30)31/h6-13,20-21,23-24H,5,14-15H2,1-4H3,(H,30,31)/t20-,21+,23+,24+/m0/s1 | Definition date: | 2014-02-02 | Last modified: | 2014-03-28 | Release date: | 2014-04-02 | Identifier: | [(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid |
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![2U1 2U1](https://data.pdbj.org/pdbjplus/data/cc/svg/2U1.svg) | 2U1 | Name: | 6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid | Formula: | C33 H36 Cl2 N2 O6 S | SMILES: | O=C(O)c1ccc(nc1)CC3(OC(c2cc(Cl)ccc2)C(N(C3=O)C(C4CC4)CS(=O)(=O)C(C)(C)C)c5ccc(Cl)cc5)C | InChi: | InChI=1S/C33H36Cl2N2O6S/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)43-33(4,31(37)40)17-26-15-12-23(18-36-26)30(38)39/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33+/m1/s1 | Definition date: | 2014-02-04 | Last modified: | 2014-03-28 | Release date: | 2014-04-02 | Identifier: | 6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid |
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![2U6 2U6](https://data.pdbj.org/pdbjplus/data/cc/svg/2U6.svg) | 2U6 | Name: | 6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid | Formula: | C33 H36 Cl2 N2 O6 S | SMILES: | O=C(O)c1ccc(nc1)CC3(OC(c2cc(Cl)ccc2)C(N(C3=O)C(C4CC4)CS(=O)(=O)C(C)(C)C)c5ccc(Cl)cc5)C | InChi: | InChI=1S/C33H36Cl2N2O6S/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-28(21-10-13-24(34)14-11-21)29(22-6-5-7-25(35)16-22)43-33(4,31(37)40)17-26-15-12-23(18-36-26)30(38)39/h5-7,10-16,18,20,27-29H,8-9,17,19H2,1-4H3,(H,38,39)/t27-,28-,29-,33-/m1/s1 | Definition date: | 2014-02-05 | Last modified: | 2014-03-28 | Release date: | 2014-04-02 | Identifier: | 6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid |
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![2U7 2U7](https://data.pdbj.org/pdbjplus/data/cc/svg/2U7.svg) | 2U7 | Name: | [(2S,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | Formula: | C26 H31 Cl2 N O6 S | SMILES: | Clc1cccc(c1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C(CC)CS(=O)(=O)C(C)(C)C)CC(=O)O | InChi: | InChI=1S/C26H31Cl2NO6S/c1-5-20(15-36(33,34)26(2,3)4)29-23(16-9-11-18(27)12-10-16)24(17-7-6-8-19(28)13-17)35-21(25(29)32)14-22(30)31/h6-13,20-21,23-24H,5,14-15H2,1-4H3,(H,30,31)/t20-,21-,23+,24+/m0/s1 | Definition date: | 2014-02-05 | Last modified: | 2014-03-28 | Release date: | 2014-04-02 | Identifier: | [(2S,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid |
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![PKA PKA](https://data.pdbj.org/pdbjplus/data/cc/svg/PKA.svg) | PKA | Name: | N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide | Formula: | C21 H21 Cl N2 O | SMILES: | Clc1ccccc1c3nc(cc2c3cccc2)C(=O)N(C(C)CC)C | InChi: | InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1 | Definition date: | 2013-11-19 | Last modified: | 2014-03-28 | Release date: | 2014-04-02 | Identifier: | N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide |
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![YPR YPR](https://data.pdbj.org/pdbjplus/data/cc/svg/YPR.svg) | YPR | Name: | (4R)-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-proline | Formula: | C21 H20 N2 O4 | SMILES: | O=C(O)C4NCC(Oc1cc(nc2c1ccc(OC)c2)c3ccccc3)C4 | InChi: | InChI=1S/C21H20N2O4/c1-26-14-7-8-16-18(9-14)23-17(13-5-3-2-4-6-13)11-20(16)27-15-10-19(21(24)25)22-12-15/h2-9,11,15,19,22H,10,12H2,1H3,(H,24,25)/t15-,19+/m1/s1 | Definition date: | 2013-05-09 | Last modified: | 2014-03-21 | Release date: | 2014-03-26 | Identifier: | (4R)-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-proline |
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![JTU JTU](https://data.pdbj.org/pdbjplus/data/cc/svg/JTU.svg) | JTU | Name: | 6-bromo-2-{4-[(2R)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid | Formula: | C21 H20 Br N O2 | SMILES: | O=C(O)c1c3cc(Br)ccc3nc(c1C)c2ccc(cc2)C(C)CC | InChi: | InChI=1S/C21H20BrNO2/c1-4-12(2)14-5-7-15(8-6-14)20-13(3)19(21(24)25)17-11-16(22)9-10-18(17)23-20/h5-12H,4H2,1-3H3,(H,24,25)/t12-/m1/s1 | Definition date: | 2013-04-02 | Last modified: | 2014-03-21 | Release date: | 2014-03-26 | Identifier: | 6-bromo-2-{4-[(2R)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid |
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![1RR 1RR](https://data.pdbj.org/pdbjplus/data/cc/svg/1RR.svg) | 1RR | Name: | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | Formula: | C38 H47 N5 O7 | SMILES: | O=C(N5C(C(=O)NC1(C(=O)O)CC1/C=C)CC(Oc3c4ccc(OC)cc4nc(c2ccccc2)c3)C5)C(NC(=O)NC(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C38H47N5O7/c1-9-23-20-38(23,34(46)47)41-32(44)29-18-25(21-43(29)33(45)31(36(2,3)4)40-35(48)42-37(5,6)7)50-30-19-27(22-13-11-10-12-14-22)39-28-17-24(49-8)15-16-26(28)30/h9-17,19,23,25,29,31H,1,18,20-21H2,2-8H3,(H,41,44)(H,46,47)(H2,40,42,48)/t23-,25-,29+,31-,38-/m1/s1 | Definition date: | 2013-05-09 | Last modified: | 2014-03-21 | Release date: | 2014-03-26 | Identifier: | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide |
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![2R8 2R8](https://data.pdbj.org/pdbjplus/data/cc/svg/2R8.svg) | 2R8 | Name: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide | Formula: | C35 H47 N5 O9 S | SMILES: | O=C(N5C(C(=O)NC2(C(=O)NS(=O)(=O)C1CC1)CC2/C=C)CC(Oc3nccc4c3ccc(OC)c4)C5)C(NC(=O)OC(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C35H47N5O9S/c1-9-21-18-35(21,31(43)39-50(45,46)24-11-12-24)38-28(41)26-17-23(48-29-25-13-10-22(47-8)16-20(25)14-15-36-29)19-40(26)30(42)27(33(2,3)4)37-32(44)49-34(5,6)7/h9-10,13-16,21,23-24,26-27H,1,11-12,17-19H2,2-8H3,(H,37,44)(H,38,41)(H,39,43)/t21-,23-,26+,27-,35-/m1/s1 | Definition date: | 2014-01-10 | Last modified: | 2014-03-21 | Release date: | 2014-03-26 | Identifier: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide |
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![UW1 UW1](https://data.pdbj.org/pdbjplus/data/cc/svg/UW1.svg) | UW1 | Name: | 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide | Formula: | C19 H23 N5 O2 | SMILES: | O=C(c3c(N)n(nc3c1cnc2c(c1)ccc(OCC)c2)C(C)(C)C)N | InChi: | InChI=1S/C19H23N5O2/c1-5-26-13-7-6-11-8-12(10-22-14(11)9-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25) | Definition date: | 2014-01-30 | Last modified: | 2014-03-14 | Release date: | 2014-03-19 | Identifier: | 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide |
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![2TW 2TW](https://data.pdbj.org/pdbjplus/data/cc/svg/2TW.svg) | 2TW | Name: | [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | Formula: | C27 H31 Cl2 N O6 S | SMILES: | Clc1cccc(c1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C(C4CC4)CS(=O)(=O)C(C)(C)C)CC(=O)O | InChi: | InChI=1S/C27H31Cl2NO6S/c1-27(2,3)37(34,35)15-21(16-7-8-16)30-24(17-9-11-19(28)12-10-17)25(18-5-4-6-20(29)13-18)36-22(26(30)33)14-23(31)32/h4-6,9-13,16,21-22,24-25H,7-8,14-15H2,1-3H3,(H,31,32)/t21-,22-,24-,25-/m1/s1 | Definition date: | 2014-01-31 | Last modified: | 2014-03-14 | Release date: | 2014-03-19 | Identifier: | [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid |
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![2JJ 2JJ](https://data.pdbj.org/pdbjplus/data/cc/svg/2JJ.svg) | 2JJ | Name: | 5-phosphono-D-norvaline | Formula: | C5 H12 N O5 P | SMILES: | O=P(O)(O)CCCC(N)C(=O)O | InChi: | InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1 | Definition date: | 2013-10-31 | Last modified: | 2014-03-07 | Release date: | 2014-03-12 | Identifier: | 5-phosphono-D-norvaline |
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![2JK 2JK](https://data.pdbj.org/pdbjplus/data/cc/svg/2JK.svg) | 2JK | Name: | 4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid | Formula: | C12 H11 N O3 | SMILES: | O=C(O)c1nc2cc(cc(c2c(O)c1)C)C | InChi: | InChI=1S/C12H11NO3/c1-6-3-7(2)11-8(4-6)13-9(12(15)16)5-10(11)14/h3-5H,1-2H3,(H,13,14)(H,15,16) | Definition date: | 2013-10-31 | Last modified: | 2014-03-07 | Release date: | 2014-03-12 | Identifier: | 4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid |
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![28T 28T](https://data.pdbj.org/pdbjplus/data/cc/svg/28T.svg) | 28T | Name: | 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline | Formula: | C13 H20 N2 O4 | SMILES: | O=C(N1C(C(=O)O)CCC1)CCC(=O)C2NCCC2 | InChi: | InChI=1S/C13H20N2O4/c16-11(9-3-1-7-14-9)5-6-12(17)15-8-2-4-10(15)13(18)19/h9-10,14H,1-8H2,(H,18,19)/t9-,10-/m0/s1 | Definition date: | 2013-09-10 | Last modified: | 2014-03-07 | Release date: | 2014-03-12 | Identifier: | 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline |
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![RR2 RR2](https://data.pdbj.org/pdbjplus/data/cc/svg/RR2.svg) | RR2 | Name: | (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium | Formula: | C84 H50 N16 Ru2 | SMILES: | n2c%14cc(ccc%14nc3c%13c%12c1n(cccc1c23)[Ru]%117(n6cccc5ccc4cccn7c4c56)(n9c8c%10c(ccc8ccc9)cccn%10%11)n%12ccc%13)c%16ccc%15nc%17c%20c%19c%18c(c%17nc%15c%16)cccn%18[Ru]%24%28(n%19ccc%20)(n%22c%21c%23c(ccc%21ccc%22)cccn%23%24)n%26cccc%25ccc%27c(c%25%26)n%28ccc%27 | InChi: | InChI=1S/C36H18N8.4C12H8N2.2Ru/c1-5-21-29(37-13-1)31-23(7-3-15-39-31)35-33(21)41-25-11-9-19(17-27(25)43-35)20-10-12-26-28(18-20)44-36-24-8-4-16-40-32(24)30-22(34(36)42-26)6-2-14-38-30 | Definition date: | 2012-10-05 | Last modified: | 2014-02-28 | Release date: | 2014-03-05 | Identifier: | (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium |
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![1VV 1VV](https://data.pdbj.org/pdbjplus/data/cc/svg/1VV.svg) | 1VV | Name: | (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | Formula: | C26 H26 N2 O5 | SMILES: | O=C(O)C5CCCCC5C(=O)N2C(c1c(cccc1)CC2)CN4C(=O)c3ccccc3C4=O | InChi: | InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21+,22-/m1/s1 | Definition date: | 2013-06-24 | Last modified: | 2014-02-21 | Release date: | 2014-02-19 | Identifier: | (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid |
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![7ZE 7ZE](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZE.svg) | 7ZE | Name: | 5-nitroquinoline | Formula: | C9 H6 N2 O2 | SMILES: | [O-][N+](=O)c1cccc2ncccc12 | InChi: | InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H | Definition date: | 2013-07-31 | Last modified: | 2014-02-21 | Release date: | 2014-02-26 | Identifier: | 5-nitroquinoline |
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![1DC 1DC](https://data.pdbj.org/pdbjplus/data/cc/svg/1DC.svg) | 1DC | Name: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-4-yl)ethyl]propanamide | Formula: | C18 H18 N4 O2 | SMILES: | O=C(NC(c1ccncc1)C)CCC3=Nc2c(cccc2)C(=O)N3 | InChi: | InChI=1S/C18H18N4O2/c1-12(13-8-10-19-11-9-13)20-17(23)7-6-16-21-15-5-3-2-4-14(15)18(24)22-16/h2-5,8-12H,6-7H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1 | Definition date: | 2013-06-17 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-4-yl)ethyl]propanamide |
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![1DN 1DN](https://data.pdbj.org/pdbjplus/data/cc/svg/1DN.svg) | 1DN | Name: | 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine | Formula: | C20 H17 N7 O2 S | SMILES: | n1ccsc1c2nc5c(n2c4cc3nc(nc(N)c3cc4)N)cc(OC)c(OC)c5 | InChi: | InChI=1S/C20H17N7O2S/c1-28-15-8-13-14(9-16(15)29-2)27(18(24-13)19-23-5-6-30-19)10-3-4-11-12(7-10)25-20(22)26-17(11)21/h3-9H,1-2H3,(H4,21,22,25,26) | Definition date: | 2013-07-30 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine |
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![1V9 1V9](https://data.pdbj.org/pdbjplus/data/cc/svg/1V9.svg) | 1V9 | Name: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide | Formula: | C20 H21 N3 O2 | SMILES: | O=C(NC(c1ccccc1)CC)CCC3=Nc2c(cccc2)C(=O)N3 | InChi: | InChI=1S/C20H21N3O2/c1-2-16(14-8-4-3-5-9-14)22-19(24)13-12-18-21-17-11-7-6-10-15(17)20(25)23-18/h3-11,16H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t16-/m0/s1 | Definition date: | 2013-06-17 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide |
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![1VA 1VA](https://data.pdbj.org/pdbjplus/data/cc/svg/1VA.svg) | 1VA | Name: | N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide | Formula: | C20 H21 N3 O3 | SMILES: | O=C(NC(Cc1ccccc1)CO)CCC3=Nc2c(cccc2)C(=O)N3 | InChi: | InChI=1S/C20H21N3O3/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/h1-9,15,24H,10-13H2,(H,21,25)(H,22,23,26)/t15-/m0/s1 | Definition date: | 2013-06-17 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide |
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![1VB 1VB](https://data.pdbj.org/pdbjplus/data/cc/svg/1VB.svg) | 1VB | Name: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide | Formula: | C19 H20 N4 O4 S | SMILES: | O=S(=O)(N)c1ccc(cc1)C(NC(=O)CCC3=Nc2c(cccc2)C(=O)N3)C | InChi: | InChI=1S/C19H20N4O4S/c1-12(13-6-8-14(9-7-13)28(20,26)27)21-18(24)11-10-17-22-16-5-3-2-4-15(16)19(25)23-17/h2-9,12H,10-11H2,1H3,(H,21,24)(H2,20,26,27)(H,22,23,25)/t12-/m0/s1 | Definition date: | 2013-06-17 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide |
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![1VC 1VC](https://data.pdbj.org/pdbjplus/data/cc/svg/1VC.svg) | 1VC | Name: | methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate | Formula: | C21 H21 N3 O4 | SMILES: | O=C(OC)C(NC(=O)CCC2=Nc1c(cccc1)C(=O)N2)Cc3ccccc3 | InChi: | InChI=1S/C21H21N3O4/c1-28-21(27)17(13-14-7-3-2-4-8-14)23-19(25)12-11-18-22-16-10-6-5-9-15(16)20(26)24-18/h2-10,17H,11-13H2,1H3,(H,23,25)(H,22,24,26)/t17-/m0/s1 | Definition date: | 2013-06-17 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | methyl N-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-L-phenylalaninate |
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![1VD 1VD](https://data.pdbj.org/pdbjplus/data/cc/svg/1VD.svg) | 1VD | Name: | N-{(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide | Formula: | C22 H21 N5 O2 | SMILES: | O=C1c4ccccc4N=C(N1)CCC(=O)NC(c2ccc(cc2)n3ccnc3)C | InChi: | InChI=1S/C22H21N5O2/c1-15(16-6-8-17(9-7-16)27-13-12-23-14-27)24-21(28)11-10-20-25-19-5-3-2-4-18(19)22(29)26-20/h2-9,12-15H,10-11H2,1H3,(H,24,28)(H,25,26,29)/t15-/m0/s1 | Definition date: | 2013-06-17 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | N-{(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide |
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