| 5F7 | 表記: | N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine | 組成式: | C17 H14 Cl2 N2 O | SMILES: | c1cc(OC)c2c(n1)ccc(c2)N(c3c(Cl)cccc3Cl)C | InChi: | InChI=1S/C17H14Cl2N2O/c1-21(17-13(18)4-3-5-14(17)19)11-6-7-15-12(10-11)16(22-2)8-9-20-15/h3-10H,1-2H3 | 定義日: | 2015-09-18 | 最終更新日: | 2016-06-10 | 公開日: | 2016-06-15 | 識別子(ID): | N-(2,6-dichlorophenyl)-4-methoxy-N-methylquinolin-6-amine |
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| 6E2 | 表記: | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide | 組成式: | C23 H28 N8 O4 | SMILES: | COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cnc(N)nc5 | InChi: | InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) | 定義日: | 2016-04-12 | 最終更新日: | 2016-06-07 | 公開日: | 2016-04-20 | 識別子(ID): | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide |
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| 5SB | 表記: | ~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide | 組成式: | C14 H12 N4 O | SMILES: | CC(=O)Nc1ccc(c2c[nH]nc2)c3cccnc13 | InChi: | InChI=1S/C14H12N4O/c1-9(19)18-13-5-4-11(10-7-16-17-8-10)12-3-2-6-15-14(12)13/h2-8H,1H3,(H,16,17)(H,18,19) | 定義日: | 2015-11-20 | 最終更新日: | 2016-06-03 | 公開日: | 2016-06-08 | 識別子(ID): | ~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide |
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| 5WR | 表記: | (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide | 組成式: | C28 H31 F3 N6 O | SMILES: | C[CH]1CN(Cc2cc(ccc12)C(=O)Nc3cc(CN4CCN(C)CC4)cc(c3)C(F)(F)F)c5cncnc5 | InChi: | InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/t19-/m1/s1 | 定義日: | 2015-12-17 | 最終更新日: | 2016-06-03 | 公開日: | 2016-06-08 | 識別子(ID): | (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide |
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| 2H4 | 表記: | (1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol | 組成式: | C16 H17 N O4 | SMILES: | Oc1ccc(cc1O)CC3c2c(cc(O)c(O)c2)CCN3 | InChi: | InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m0/s1 | 定義日: | 2014-03-27 | 最終更新日: | 2016-06-03 | 公開日: | 2016-06-08 | 識別子(ID): | (1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
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| YLG | 表記: | (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline | 組成式: | C10 H13 N | SMILES: | C[CH]1NCCc2ccccc12 | InChi: | InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1 | 定義日: | 2015-07-22 | 最終更新日: | 2016-05-27 | 公開日: | 2016-06-01 | 識別子(ID): | (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline |
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| 5XK | 表記: | 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one | 組成式: | C17 H19 Cl N2 O | SMILES: | CCC(CC)Cc1ccn2c1NC(=O)c3c(Cl)cccc23 | InChi: | InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-9,11H,3-4,10H2,1-2H3,(H,19,21) | 定義日: | 2015-12-22 | 最終更新日: | 2016-05-27 | 公開日: | 2016-06-01 | 識別子(ID): | 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one |
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| 5XL | 表記: | 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one | 組成式: | C14 H14 Cl N3 O | SMILES: | CN(C)Cc1ccn2c1NC(=O)c3c(Cl)cccc23 | InChi: | InChI=1S/C14H14ClN3O/c1-17(2)8-9-6-7-18-11-5-3-4-10(15)12(11)14(19)16-13(9)18/h3-7H,8H2,1-2H3,(H,16,19) | 定義日: | 2015-12-22 | 最終更新日: | 2016-05-27 | 公開日: | 2016-06-01 | 識別子(ID): | 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one |
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| 5XM | 表記: | (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one | 組成式: | C17 H21 N3 O | SMILES: | O=C1N=C2[CH](CCN2c3ccccc13)CN4CCCCC4 | InChi: | InChI=1S/C17H21N3O/c21-17-14-6-2-3-7-15(14)20-11-8-13(16(20)18-17)12-19-9-4-1-5-10-19/h2-3,6-7,13H,1,4-5,8-12H2/t13-/m1/s1 | 定義日: | 2015-12-22 | 最終更新日: | 2016-05-27 | 公開日: | 2016-06-01 | 識別子(ID): | (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one |
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| 5D1 | 表記: | N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide | 組成式: | C28 H35 N3 O3 | SMILES: | Cc1cc(ccc1)CN2CCC(CC2)CNC(=O)CCCOC=4c3ccccc3N(C(C=4)=O)C | InChi: | InChI=1S/C28H35N3O3/c1-21-7-5-8-23(17-21)20-31-14-12-22(13-15-31)19-29-27(32)11-6-16-34-26-18-28(33)30(2)25-10-4-3-9-24(25)26/h3-5,7-10,17-18,22H,6,11-16,19-20H2,1-2H3,(H,29,32) | 定義日: | 2015-09-07 | 最終更新日: | 2016-05-27 | 公開日: | 2016-06-01 | 識別子(ID): | N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide |
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| 4YO | 表記: | 6-bromo-3,4-dihydroquinoxalin-2(1H)-one | 組成式: | C8 H7 Br N2 O | SMILES: | O=C2CNc1cc(Br)ccc1N2 | InChi: | InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12) | 定義日: | 2015-06-25 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | 6-bromo-3,4-dihydroquinoxalin-2(1H)-one |
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| 4YS | 表記: | isoquinolin-1(2H)-one | 組成式: | C9 H7 N O | SMILES: | c1cccc2c1C=CNC2=O | InChi: | InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11) | 定義日: | 2015-06-26 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | isoquinolin-1(2H)-one |
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| 5QX | 表記: | 1-methyl-3,4-dihydroquinoxalin-2-one | 組成式: | C9 H10 N2 O | SMILES: | CN1C(=O)CNc2ccccc12 | InChi: | InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-5,10H,6H2,1H3 | 定義日: | 2015-11-12 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | 1-methyl-3,4-dihydroquinoxalin-2-one |
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| 5QY | 表記: | (3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one | 組成式: | C9 H10 N2 O | SMILES: | C[CH]1Nc2ccccc2NC1=O | InChi: | InChI=1S/C9H10N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-6,10H,1H3,(H,11,12)/t6-/m0/s1 | 定義日: | 2015-11-12 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | (3~{S})-3-methyl-3,4-dihydro-1~{H}-quinoxalin-2-one |
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| 5SJ | 表記: | ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate | 組成式: | C12 H14 N2 O3 | SMILES: | CCOC(=O)c1ccc2N[CH](C)C(=O)Nc2c1 | InChi: | InChI=1S/C12H14N2O3/c1-3-17-12(16)8-4-5-9-10(6-8)14-11(15)7(2)13-9/h4-7,13H,3H2,1-2H3,(H,14,15)/t7-/m1/s1 | 定義日: | 2015-11-21 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate |
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| 5UY | 表記: | methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{R})-morpholin-2-yl]methylamino]pyridine-3-carboxylate | 組成式: | C17 H19 N7 O3 | SMILES: | COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC[CH]3CNCCO3 | InChi: | InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)/t12-/m1/s1 | 定義日: | 2015-12-04 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{R})-morpholin-2-yl]methylamino]pyridine-3-carboxylate |
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| 6EJ | 表記: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one | 組成式: | C24 H26 F N5 O3 | SMILES: | c6c1c2c(C(CN2C(C=C1)=O)CN3CCC(CC3)NCc5cc4OCCOc4nn5)c(c6)F | InChi: | InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1 | 定義日: | 2016-03-23 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one |
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| 6GN | 表記: | 1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium | 組成式: | C33 H45 N5 O7 S2 | SMILES: | C(N)COCCOCCNC(=O)CCC(NCCC[n+]3ccc(Cc2[n+](c1c(cccc1)s2)CCCS(O)(=O)=O)c4c3cccc4)=O | InChi: | InChI=1S/C33H43N5O7S2/c34-14-20-44-22-23-45-21-16-36-32(40)12-11-31(39)35-15-5-17-37-19-13-26(27-7-1-2-8-28(27)37)25-33-38(18-6-24-47(41,42)43)29-9-3-4-10-30(29)46-33/h1-4,7-10,13,19H,5-6,11-12,14-18,20-25,34H2,(H-2,35,36,39,40,41,42,43)/p+2 | 定義日: | 2016-04-06 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | 1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium |
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| 5GT | 表記: | 7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one | 組成式: | C9 H7 F3 N2 O | SMILES: | FC(F)(F)c1ccc2c(c1)NC(CN2)=O | InChi: | InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3,13H,4H2,(H,14,15) | 定義日: | 2015-09-24 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | 7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one |
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| 5GU | 表記: | 7-bromo-3,4-dihydroquinoxalin-2(1H)-one | 組成式: | C8 H7 Br N2 O | SMILES: | O=C2CNc1ccc(Br)cc1N2 | InChi: | InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12) | 定義日: | 2015-09-24 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | 7-bromo-3,4-dihydroquinoxalin-2(1H)-one |
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| 5GV | 表記: | (2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid | 組成式: | C11 H12 N2 O3 | SMILES: | O=C1C(Nc2c(N1)cc(cc2)C(O)=O)CC | InChi: | InChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1 | 定義日: | 2015-09-24 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | (2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid |
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| 6HX | 表記: | 2'-chloro-6-methyl[1,1'-biphenyl]-3-amine | 組成式: | C13 H12 Cl N | SMILES: | Cc1c(cc(N)cc1)c2ccccc2Cl | InChi: | InChI=1S/C13H12ClN/c1-9-6-7-10(15)8-12(9)11-4-2-3-5-13(11)14/h2-8H,15H2,1H3 | 定義日: | 2016-04-12 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | 2'-chloro-6-methyl[1,1'-biphenyl]-3-amine |
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| OE2 | 表記: | PSAMMAPLIN C | 組成式: | C11 H14 Br N3 O5 S | SMILES: | N[S](=O)(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO | InChi: | InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+ | 定義日: | 2015-06-26 | 最終更新日: | 2016-05-20 | 公開日: | 2016-05-25 | 識別子(ID): | (2E)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide |
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| 4VM | 表記: | 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide | 組成式: | C28 H27 F N4 O2 | SMILES: | c1ccnc5c1cc(CNC(C2CCN(CC2)c4ccc(c3c(F)ccc(c3)CO)cn4)=O)cc5 | InChi: | InChI=1S/C28H27FN4O2/c29-25-6-3-20(18-34)15-24(25)23-5-8-27(31-17-23)33-12-9-21(10-13-33)28(35)32-16-19-4-7-26-22(14-19)2-1-11-30-26/h1-8,11,14-15,17,21,34H,9-10,12-13,16,18H2,(H,32,35) | 定義日: | 2015-06-05 | 最終更新日: | 2016-05-13 | 公開日: | 2016-05-18 | 識別子(ID): | 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide |
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| 4Q2 | 表記: | (2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide | 組成式: | C20 H26 N6 O2 S | SMILES: | C2Cc1nc(sc1c3c2cnc(n3)C(C)(C)C)NC(N4C(C(C)CC4)C(N)=O)=O | InChi: | InChI=1S/C20H26N6O2S/c1-10-7-8-26(14(10)16(21)27)19(28)25-18-23-12-6-5-11-9-22-17(20(2,3)4)24-13(11)15(12)29-18/h9-10,14H,5-8H2,1-4H3,(H2,21,27)(H,23,25,28)/t10-,14+/m1/s1 | 定義日: | 2015-05-07 | 最終更新日: | 2016-05-13 | 公開日: | 2016-05-18 | 識別子(ID): | (2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide |
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