![36I 36I](https://data.pdbj.org/pdbjplus/data/cc/svg/36I.svg) | 36I | Name: | 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine | Formula: | C16 H15 N3 O S | SMILES: | n1c(c3sccc3nc1c2ccccc2)N4CCOCC4 | InChi: | InChI=1S/C16H15N3OS/c1-2-4-12(5-3-1)15-17-13-6-11-21-14(13)16(18-15)19-7-9-20-10-8-19/h1-6,11H,7-10H2 | Definition date: | 2013-05-20 | Last modified: | 2013-09-13 | Release date: | 2013-09-18 | Identifier: | 4-(morpholin-4-yl)-2-phenylthieno[3,2-d]pyrimidine |
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![1QG 1QG](https://data.pdbj.org/pdbjplus/data/cc/svg/1QG.svg) | 1QG | Name: | (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine | Formula: | C19 H19 F N4 O | SMILES: | Fc1ccc(cc1)c2nn(cc2c3cc(ncc3)C4NCCOC4)C | InChi: | InChI=1S/C19H19FN4O/c1-24-11-16(19(23-24)13-2-4-15(20)5-3-13)14-6-7-21-17(10-14)18-12-25-9-8-22-18/h2-7,10-11,18,22H,8-9,12H2,1H3/t18-/m1/s1 | Definition date: | 2013-04-26 | Last modified: | 2013-09-13 | Release date: | 2013-09-18 | Identifier: | (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine |
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![409 409](https://data.pdbj.org/pdbjplus/data/cc/svg/409.svg) | 409 | Name: | N-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide | Formula: | C18 H19 N5 O4 S | SMILES: | O=C(NS(=O)(=O)c3cccc(c2ccc1c(ncnc1N)c2)c3)C(N)C(O)C | InChi: | InChI=1S/C18H19N5O4S/c1-10(24)16(19)18(25)23-28(26,27)13-4-2-3-11(7-13)12-5-6-14-15(8-12)21-9-22-17(14)20/h2-10,16,24H,19H2,1H3,(H,23,25)(H2,20,21,22)/t10-,16+/m1/s1 | Definition date: | 2012-11-19 | Last modified: | 2013-09-13 | Release date: | 2013-09-18 | Identifier: | N-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide |
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![O74 O74](https://data.pdbj.org/pdbjplus/data/cc/svg/O74.svg) | O74 | Name: | 6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one | Formula: | C20 H14 Cl N3 O | SMILES: | Clc1ccccc1NC4=NC(=C2C=CC=CC2=O)Nc3ccccc34 | InChi: | InChI=1S/C20H14ClN3O/c21-15-9-3-5-11-17(15)23-19-13-7-1-4-10-16(13)22-20(24-19)14-8-2-6-12-18(14)25/h1-12,22H,(H,23,24)/b20-14- | Definition date: | 2013-05-17 | Last modified: | 2013-09-13 | Release date: | 2013-09-18 | Identifier: | (6Z)-6-{4-[(2-chlorophenyl)amino]quinazolin-2(1H)-ylidene}cyclohexa-2,4-dien-1-one |
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![QUB QUB](https://data.pdbj.org/pdbjplus/data/cc/svg/QUB.svg) | QUB | Name: | (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine | Formula: | C13 H12 N2 O | SMILES: | O(N=Cc1c2ccccc2ncc1)CC=C | InChi: | InChI=1S/C13H12N2O/c1-2-9-16-15-10-11-7-8-14-13-6-4-3-5-12(11)13/h2-8,10H,1,9H2/b15-10+ | Definition date: | 2013-06-25 | Last modified: | 2013-09-13 | Release date: | 2013-09-18 | Identifier: | (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine |
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![YUN YUN](https://data.pdbj.org/pdbjplus/data/cc/svg/YUN.svg) | YUN | Name: | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide | Formula: | C17 H15 Br N4 O | SMILES: | Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)CC | InChi: | InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22) | Definition date: | 2013-08-02 | Last modified: | 2013-09-06 | Release date: | 2013-09-11 | Identifier: | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide |
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![0O1 0O1](https://data.pdbj.org/pdbjplus/data/cc/svg/0O1.svg) | 0O1 | Name: | 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Formula: | C25 H31 N7 O | SMILES: | O=C3c4cc2nc(NCCc1ccccc1)nc2c(c4N=C(N)N3)CCNCC5CCCC5 | InChi: | InChI=1S/C25H31N7O/c26-24-30-21-18(11-12-27-15-17-8-4-5-9-17)22-20(14-19(21)23(33)32-24)29-25(31-22)28-13-10-16-6-2-1-3-7-16/h1-3,6-7,14,17,27H,4-5,8-13,15H2,(H2,28,29,31)(H3,26,30,32,33) | Definition date: | 2012-08-17 | Last modified: | 2013-08-30 | Release date: | 2013-09-04 | Identifier: | 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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![0WW 0WW](https://data.pdbj.org/pdbjplus/data/cc/svg/0WW.svg) | 0WW | Name: | 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Formula: | C23 H28 N6 O S | SMILES: | O=C1c2cc4nc(nc4c(c2N=CN1)CCNCC3CCCCC3)NCc5sccc5 | InChi: | InChI=1S/C23H28N6OS/c30-22-18-11-19-21(29-23(28-19)25-13-16-7-4-10-31-16)17(20(18)26-14-27-22)8-9-24-12-15-5-2-1-3-6-15/h4,7,10-11,14-15,24H,1-3,5-6,8-9,12-13H2,(H2,25,28,29)(H,26,27,30) | Definition date: | 2012-08-09 | Last modified: | 2013-08-30 | Release date: | 2013-09-04 | Identifier: | 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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![0WX 0WX](https://data.pdbj.org/pdbjplus/data/cc/svg/0WX.svg) | 0WX | Name: | 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Formula: | C24 H35 N7 O2 | SMILES: | O=C2c3cc5nc(NCCN1CCOCC1)nc5c(c3N=CN2)CCNCC4CCCCC4 | InChi: | InChI=1S/C24H35N7O2/c32-23-19-14-20-22(30-24(29-20)26-8-9-31-10-12-33-13-11-31)18(21(19)27-16-28-23)6-7-25-15-17-4-2-1-3-5-17/h14,16-17,25H,1-13,15H2,(H2,26,29,30)(H,27,28,32) | Definition date: | 2012-08-10 | Last modified: | 2013-08-30 | Release date: | 2013-09-04 | Identifier: | 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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![0WY 0WY](https://data.pdbj.org/pdbjplus/data/cc/svg/0WY.svg) | 0WY | Name: | 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Formula: | C26 H33 N7 O | SMILES: | O=C3c4cc2nc(NCCc1ccccc1)nc2c(c4N=C(N)N3)CCNCC5CCCCC5 | InChi: | InChI=1S/C26H33N7O/c27-25-31-22-19(12-13-28-16-18-9-5-2-6-10-18)23-21(15-20(22)24(34)33-25)30-26(32-23)29-14-11-17-7-3-1-4-8-17/h1,3-4,7-8,15,18,28H,2,5-6,9-14,16H2,(H2,29,30,32)(H3,27,31,33,34) | Definition date: | 2012-08-10 | Last modified: | 2013-08-30 | Release date: | 2013-09-04 | Identifier: | 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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![0EV 0EV](https://data.pdbj.org/pdbjplus/data/cc/svg/0EV.svg) | 0EV | Name: | 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Formula: | C26 H32 N6 O | SMILES: | O=C3c4cc2nc(NCCc1ccccc1)nc2c(c4N=CN3)CCNCC5CCCCC5 | InChi: | InChI=1S/C26H32N6O/c33-25-21-15-22-24(32-26(31-22)28-14-11-18-7-3-1-4-8-18)20(23(21)29-17-30-25)12-13-27-16-19-9-5-2-6-10-19/h1,3-4,7-8,15,17,19,27H,2,5-6,9-14,16H2,(H2,28,31,32)(H,29,30,33) | Definition date: | 2012-08-09 | Last modified: | 2013-08-30 | Release date: | 2013-09-04 | Identifier: | 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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![0EX 0EX](https://data.pdbj.org/pdbjplus/data/cc/svg/0EX.svg) | 0EX | Name: | 6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Formula: | C26 H27 N7 O | SMILES: | O=C2c3cc1nc(nc1c(c3N=C(N)N2)CCNCc4ccccc4)NCCc5ccccc5 | InChi: | InChI=1S/C26H27N7O/c27-25-31-22-19(12-13-28-16-18-9-5-2-6-10-18)23-21(15-20(22)24(34)33-25)30-26(32-23)29-14-11-17-7-3-1-4-8-17/h1-10,15,28H,11-14,16H2,(H2,29,30,32)(H3,27,31,33,34) | Definition date: | 2012-08-10 | Last modified: | 2013-08-30 | Release date: | 2013-09-04 | Identifier: | 6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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![1KT 1KT](https://data.pdbj.org/pdbjplus/data/cc/svg/1KT.svg) | 1KT | Name: | 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione | Formula: | C28 H32 N2 O8 | SMILES: | O=C(c1cc(OC)c(OC)c(OC)c1)C(=O)N3C4C5c2c(OC)cc(OC)cc2CCN5C(=O)C3CCC4 | InChi: | InChI=1S/C28H32N2O8/c1-34-17-11-15-9-10-29-24(23(15)20(14-17)35-2)18-7-6-8-19(27(29)32)30(18)28(33)25(31)16-12-21(36-3)26(38-5)22(13-16)37-4/h11-14,18-19,24H,6-10H2,1-5H3/t18-,19+,24+/m1/s1 | Definition date: | 2013-03-12 | Last modified: | 2013-08-23 | Release date: | 2013-08-28 | Identifier: | 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione |
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![G5K G5K](https://data.pdbj.org/pdbjplus/data/cc/svg/G5K.svg) | G5K | Name: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one | Formula: | C22 H26 N8 O2 S | SMILES: | O=C(C=C)N5CCC(Nc1nc(cc(n1)Nc2nc3cccnc3s2)CN4CCOCC4)C5 | InChi: | InChI=1S/C22H26N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h2-4,6,12,15H,1,5,7-11,13-14H2,(H2,24,25,26,27,28)/t15-/m0/s1 | Definition date: | 2013-05-03 | Last modified: | 2013-08-16 | Release date: | 2013-08-21 | Identifier: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one |
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![G6K G6K](https://data.pdbj.org/pdbjplus/data/cc/svg/G6K.svg) | G6K | Name: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one | Formula: | C22 H28 N8 O2 S | SMILES: | O=C(N5CCC(Nc1nc(cc(n1)Nc2nc3cccnc3s2)CN4CCOCC4)C5)CC | InChi: | InChI=1S/C22H28N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h3-4,6,12,15H,2,5,7-11,13-14H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | Definition date: | 2013-05-03 | Last modified: | 2013-08-16 | Release date: | 2013-08-21 | Identifier: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one |
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![1NK 1NK](https://data.pdbj.org/pdbjplus/data/cc/svg/1NK.svg) | 1NK | Name: | 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid | Formula: | C30 H31 N5 O6 | SMILES: | O=C(O)c1cc(C(=O)NC(C(C)(C)C)CO)ccc1c2ccc(OC)nc2C(=O)Nc4cc3ccnc(c3cc4)N | InChi: | InChI=1S/C30H31N5O6/c1-30(2,3)23(15-36)34-27(37)17-5-7-20(22(14-17)29(39)40)21-9-10-24(41-4)35-25(21)28(38)33-18-6-8-19-16(13-18)11-12-32-26(19)31/h5-14,23,36H,15H2,1-4H3,(H2,31,32)(H,33,38)(H,34,37)(H,39,40)/t23-/m1/s1 | Definition date: | 2013-04-05 | Last modified: | 2013-08-16 | Release date: | 2013-08-21 | Identifier: | 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid |
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![1EA 1EA](https://data.pdbj.org/pdbjplus/data/cc/svg/1EA.svg) | 1EA | Name: | 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid | Formula: | C26 H22 F N O3 | SMILES: | O=C(O)c1c4cc(F)ccc4nc(c1)c3cc(c(Oc2ccccc2)cc3C)C(C)C | InChi: | InChI=1S/C26H22FNO3/c1-15(2)19-13-20(16(3)11-25(19)31-18-7-5-4-6-8-18)24-14-22(26(29)30)21-12-17(27)9-10-23(21)28-24/h4-15H,1-3H3,(H,29,30) | Definition date: | 2012-12-20 | Last modified: | 2013-08-16 | Release date: | 2013-08-21 | Identifier: | 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid |
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![1V5 1V5](https://data.pdbj.org/pdbjplus/data/cc/svg/1V5.svg) | 1V5 | Name: | N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide | Formula: | C26 H26 F N5 O2 | SMILES: | Fc1ccc(cc1)C6(NC(=O)c3ccc2nc(c4nccn4c2c3)NC5CCC(O)CC5)CC6 | InChi: | InChI=1S/C26H26FN5O2/c27-18-4-2-17(3-5-18)26(11-12-26)31-25(34)16-1-10-21-22(15-16)32-14-13-28-24(32)23(30-21)29-19-6-8-20(33)9-7-19/h1-5,10,13-15,19-20,33H,6-9,11-12H2,(H,29,30)(H,31,34)/t19-,20- | Definition date: | 2013-06-14 | Last modified: | 2013-08-16 | Release date: | 2013-08-21 | Identifier: | N-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide |
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![A2O A2O](https://data.pdbj.org/pdbjplus/data/cc/svg/A2O.svg) | A2O | Name: | N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide | Formula: | C19 H22 N2 O3 S | SMILES: | O=S(=O)(Nc1ccc2c(c1)CCC(=O)N2CCC)Cc3ccccc3 | InChi: | InChI=1S/C19H22N2O3S/c1-2-12-21-18-10-9-17(13-16(18)8-11-19(21)22)20-25(23,24)14-15-6-4-3-5-7-15/h3-7,9-10,13,20H,2,8,11-12,14H2,1H3 | Definition date: | 2013-06-28 | Last modified: | 2013-08-09 | Release date: | 2013-08-14 | Identifier: | N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide |
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![1RE 1RE](https://data.pdbj.org/pdbjplus/data/cc/svg/1RE.svg) | 1RE | Name: | 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile | Formula: | C22 H30 N6 O4 | SMILES: | N#Cc1ccc(cc1OCCC(C)C)Nc3nc(OCCN2CCOCC2)nc(OC)n3 | InChi: | InChI=1S/C22H30N6O4/c1-16(2)6-10-31-19-14-18(5-4-17(19)15-23)24-20-25-21(29-3)27-22(26-20)32-13-9-28-7-11-30-12-8-28/h4-5,14,16H,6-13H2,1-3H3,(H,24,25,26,27) | Definition date: | 2013-05-07 | Last modified: | 2013-08-09 | Release date: | 2013-08-14 | Identifier: | 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile |
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![1SS 1SS](https://data.pdbj.org/pdbjplus/data/cc/svg/1SS.svg) | 1SS | Name: | (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium | Formula: | C14 H26 N | SMILES: | C=C(C1CCC2(C(C1)[NH+](C)CCC2)C)C | InChi: | InChI=1S/C14H25N/c1-11(2)12-6-8-14(3)7-5-9-15(4)13(14)10-12/h12-13H,1,5-10H2,2-4H3/p+1/t12-,13+,14+/m0/s1 | Definition date: | 2013-05-23 | Last modified: | 2013-08-09 | Release date: | 2013-08-14 | Identifier: | (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium |
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![1SV 1SV](https://data.pdbj.org/pdbjplus/data/cc/svg/1SV.svg) | 1SV | Name: | (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium | Formula: | C13 H22 N | SMILES: | C21=[NH+]CCCC1(CCC(/C(=C)C)C2)C | InChi: | InChI=1S/C13H21N/c1-10(2)11-5-7-13(3)6-4-8-14-12(13)9-11/h11H,1,4-9H2,2-3H3/p+1/t11-,13+/m0/s1 | Definition date: | 2013-05-23 | Last modified: | 2013-08-09 | Release date: | 2013-08-14 | Identifier: | (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium |
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![1W7 1W7](https://data.pdbj.org/pdbjplus/data/cc/svg/1W7.svg) | 1W7 | Name: | N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide | Formula: | C18 H20 N2 O3 S | SMILES: | O=S(=O)(Nc1ccc2c(c1)CCC(=O)N2C)Cc3ccc(cc3)C | InChi: | InChI=1S/C18H20N2O3S/c1-13-3-5-14(6-4-13)12-24(22,23)19-16-8-9-17-15(11-16)7-10-18(21)20(17)2/h3-6,8-9,11,19H,7,10,12H2,1-2H3 | Definition date: | 2013-06-28 | Last modified: | 2013-08-09 | Release date: | 2013-08-14 | Identifier: | N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide |
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![1XJ 1XJ](https://data.pdbj.org/pdbjplus/data/cc/svg/1XJ.svg) | 1XJ | Name: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide | Formula: | C47 H55 Cl F3 N5 O6 S3 | SMILES: | Clc1ccc(cc1)C2=C(CC(C)(C)CC2)CN7CCN(c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)NC(CCN5CCOCC5)CSc6ccccc6)CC7 | InChi: | InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1 | Definition date: | 2013-07-29 | Last modified: | 2013-08-09 | Release date: | 2013-08-14 | Identifier: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide |
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![1XO 1XO](https://data.pdbj.org/pdbjplus/data/cc/svg/1XO.svg) | 1XO | Name: | N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide | Formula: | C23 H21 N3 O2 S | SMILES: | O=C1c4ccccc4N=C(N1)CN(C(=O)CCc2ccccc2)Cc3sccc3 | InChi: | InChI=1S/C23H21N3O2S/c27-22(13-12-17-7-2-1-3-8-17)26(15-18-9-6-14-29-18)16-21-24-20-11-5-4-10-19(20)23(28)25-21/h1-11,14H,12-13,15-16H2,(H,24,25,28) | Definition date: | 2013-07-30 | Last modified: | 2013-08-09 | Release date: | 2013-08-14 | Identifier: | N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide |
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