![6XM 6XM](https://data.pdbj.org/pdbjplus/data/cc/svg/6XM.svg) | 6XM | 表記: | 8,12-bis(2-morpholinoethyl)-8H-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate | 組成式: | C31 H34 N4 O3 | SMILES: | C1CN(CCO1)CCN2c3cccc4Oc5cccc6N(CCN7CCOCC7)c8cccc2c8[CH](c34)c56 | InChi: | InChI=1S/C31H34N4O3/c1-4-22-28-23(5-1)35(13-11-33-16-20-37-21-17-33)25-7-3-9-27-30(25)31(28)29-24(6-2-8-26(29)38-27)34(22)12-10-32-14-18-36-19-15-32/h1-9,31H,10-21H2 | 定義日: | 2016-07-15 | 最終更新日: | 2018-02-27 | 公開日: | 2016-09-14 |
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![9XE 9XE](https://data.pdbj.org/pdbjplus/data/cc/svg/9XE.svg) | 9XE | 表記: | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{H}-quinolin-4-one | 組成式: | C23 H17 F3 N2 O3 | SMILES: | COc1ccc2c(NC(=C(C)C2=O)c3cncc(c3)c4ccc(OC(F)(F)F)cc4)c1 | InChi: | InChI=1S/C23H17F3N2O3/c1-13-21(28-20-10-18(30-2)7-8-19(20)22(13)29)16-9-15(11-27-12-16)14-3-5-17(6-4-14)31-23(24,25)26/h3-12H,1-2H3,(H,28,29) | 定義日: | 2017-07-25 | 最終更新日: | 2018-02-23 | 公開日: | 2018-02-28 | 識別子(ID): | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{H}-quinolin-4-one |
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![E5E E5E](https://data.pdbj.org/pdbjplus/data/cc/svg/E5E.svg) | E5E | 表記: | Noradrenaline | 組成式: | C8 H12 N O3 | SMILES: | [NH3+]C[CH](O)c1ccc(O)c(O)c1 | InChi: | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1 | 定義日: | 2018-02-19 | 最終更新日: | 2018-02-23 | 公開日: | 2018-02-28 | 識別子(ID): | [(2~{R})-2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azanium |
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![EY7 EY7](https://data.pdbj.org/pdbjplus/data/cc/svg/EY7.svg) | EY7 | 表記: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid | 組成式: | C12 H12 N2 O3 | SMILES: | OC(=O)CCc2c(nc1c(cccc1)n2)OC | InChi: | InChI=1S/C12H12N2O3/c1-17-12-10(6-7-11(15)16)13-8-4-2-3-5-9(8)14-12/h2-5H,6-7H2,1H3,(H,15,16) | 定義日: | 2018-02-12 | 最終更新日: | 2018-02-23 | 公開日: | 2018-02-28 | 識別子(ID): | 3-(3-methoxyquinoxalin-2-yl)propanoic acid |
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![EYA EYA](https://data.pdbj.org/pdbjplus/data/cc/svg/EYA.svg) | EYA | 表記: | 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | 組成式: | C12 H12 N2 O3 | SMILES: | C=1(N(C)C(=O)c2c(N=1)cccc2)CCC(O)=O | InChi: | InChI=1S/C12H12N2O3/c1-14-10(6-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/h2-5H,6-7H2,1H3,(H,15,16) | 定義日: | 2018-02-12 | 最終更新日: | 2018-02-23 | 公開日: | 2018-02-28 | 識別子(ID): | 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid |
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![EYM EYM](https://data.pdbj.org/pdbjplus/data/cc/svg/EYM.svg) | EYM | 表記: | 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid | 組成式: | C12 H12 N2 O3 | SMILES: | c2ccc1c(N=C(C(=O)N1C)CCC(O)=O)c2 | InChi: | InChI=1S/C12H12N2O3/c1-14-10-5-3-2-4-8(10)13-9(12(14)17)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16) | 定義日: | 2018-02-12 | 最終更新日: | 2018-02-23 | 公開日: | 2018-02-28 | 識別子(ID): | 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid |
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![EYY EYY](https://data.pdbj.org/pdbjplus/data/cc/svg/EYY.svg) | EYY | 表記: | 3-(quinolin-2-yl)propanoic acid | 組成式: | C12 H11 N O2 | SMILES: | C(C(O)=O)Cc2ccc1ccccc1n2 | InChi: | InChI=1S/C12H11NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15) | 定義日: | 2018-02-12 | 最終更新日: | 2018-02-23 | 公開日: | 2018-02-28 | 識別子(ID): | 3-(quinolin-2-yl)propanoic acid |
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![N7N N7N](https://data.pdbj.org/pdbjplus/data/cc/svg/N7N.svg) | N7N | 表記: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid | 組成式: | C25 H30 N4 O6 | SMILES: | OC[CH](CC(O)=O)NC(=O)[CH]1CC[CH]2CCCC[CH](NC(=O)c3nccc4ccccc34)C(=O)N12 | InChi: | InChI=1S/C25H30N4O6/c30-14-16(13-21(31)32)27-23(33)20-10-9-17-6-2-4-8-19(25(35)29(17)20)28-24(34)22-18-7-3-1-5-15(18)11-12-26-22/h1,3,5,7,11-12,16-17,19-20,30H,2,4,6,8-10,13-14H2,(H,27,33)(H,28,34)(H,31,32)/t16-,17-,19-,20-/m0/s1 | 定義日: | 2017-01-09 | 最終更新日: | 2018-02-23 | 公開日: | 2018-02-28 | 識別子(ID): | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid |
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![DY2 DY2](https://data.pdbj.org/pdbjplus/data/cc/svg/DY2.svg) | DY2 | 表記: | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol | 組成式: | C23 H17 F3 N2 O3 | SMILES: | COc1ccc2c(O)c(C)c(nc2c1)c3cncc(c3)c4ccc(OC(F)(F)F)cc4 | InChi: | InChI=1S/C23H17F3N2O3/c1-13-21(28-20-10-18(30-2)7-8-19(20)22(13)29)16-9-15(11-27-12-16)14-3-5-17(6-4-14)31-23(24,25)26/h3-12H,1-2H3,(H,28,29) | 定義日: | 2018-02-05 | 最終更新日: | 2018-02-23 | 公開日: | 2018-02-28 | 識別子(ID): | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol |
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![8J2 8J2](https://data.pdbj.org/pdbjplus/data/cc/svg/8J2.svg) | 8J2 | 表記: | propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | 組成式: | C24 H29 N3 O4 | SMILES: | CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(cc12)c3cccc(NC(C)=O)c3 | InChi: | InChI=1S/C24H29N3O4/c1-14(2)31-24(30)26-22-11-15(3)27(17(5)29)23-10-9-19(13-21(22)23)18-7-6-8-20(12-18)25-16(4)28/h6-10,12-15,22H,11H2,1-5H3,(H,25,28)(H,26,30)/t15-,22+/m0/s1 | 定義日: | 2017-02-08 | 最終更新日: | 2018-02-23 | 公開日: | 2018-02-28 | 識別子(ID): | propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate |
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![C3J C3J](https://data.pdbj.org/pdbjplus/data/cc/svg/C3J.svg) | C3J | 表記: | 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide | 組成式: | C24 H23 F2 N5 O | SMILES: | c2c1c(c(cn1)C(NC)=O)cc(c2)N5CCCc4c5cc(C(F)F)c(c3cnn(c3)C)c4 | InChi: | InChI=1S/C24H23F2N5O/c1-27-24(32)20-12-28-21-6-5-16(9-18(20)21)31-7-3-4-14-8-17(15-11-29-30(2)13-15)19(23(25)26)10-22(14)31/h5-6,8-13,23,28H,3-4,7H2,1-2H3,(H,27,32) | 定義日: | 2017-09-11 | 最終更新日: | 2018-02-16 | 公開日: | 2018-02-21 | 識別子(ID): | 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide |
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![C3V C3V](https://data.pdbj.org/pdbjplus/data/cc/svg/C3V.svg) | C3V | 表記: | 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one | 組成式: | C22 H20 F2 N4 O S | SMILES: | c1(cn(C)nc1)c2cc3CCCN(c3cc2C(F)F)c4cc5c(cc4)SC(N5C)=O | InChi: | InChI=1S/C22H20F2N4OS/c1-26-12-14(11-25-26)16-8-13-4-3-7-28(18(13)10-17(16)21(23)24)15-5-6-20-19(9-15)27(2)22(29)30-20/h5-6,8-12,21H,3-4,7H2,1-2H3 | 定義日: | 2017-09-11 | 最終更新日: | 2018-02-16 | 公開日: | 2018-02-21 | 識別子(ID): | 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one |
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![9U4 9U4](https://data.pdbj.org/pdbjplus/data/cc/svg/9U4.svg) | 9U4 | 表記: | 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | 組成式: | C27 H33 F2 N7 O2 | SMILES: | C1COCCC1n6c2CCN(C(NC)=O)Cc2c(N4CCCc3cc(c(cc34)C(F)F)c5cnn(c5)C)n6 | InChi: | InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37) | 定義日: | 2017-06-09 | 最終更新日: | 2018-02-16 | 公開日: | 2018-02-21 | 識別子(ID): | 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide |
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![EU4 EU4](https://data.pdbj.org/pdbjplus/data/cc/svg/EU4.svg) | EU4 | 表記: | 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | 組成式: | C26 H19 F3 N6 | SMILES: | c34c(C#Cc2c1c(ncnc1N)n(C(C)C)n2)cccc3cc(nc4)c5cc(ccc5)C(F)(F)F | InChi: | InChI=1S/C26H19F3N6/c1-15(2)35-25-23(24(30)32-14-33-25)21(34-35)10-9-16-5-3-6-17-12-22(31-13-20(16)17)18-7-4-8-19(11-18)26(27,28)29/h3-8,11-15H,1-2H3,(H2,30,32,33) | 定義日: | 2018-01-31 | 最終更新日: | 2018-02-16 | 公開日: | 2018-02-21 | 識別子(ID): | 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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![UWX UWX](https://data.pdbj.org/pdbjplus/data/cc/svg/UWX.svg) | UWX | 表記: | ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide | 組成式: | C24 H30 N4 O5 S | SMILES: | CC(C)Cc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)C(=O)N(C)c3cc2N4CCOCC4 | InChi: | InChI=1S/C24H30N4O5S/c1-16(2)13-17-5-7-18(8-6-17)34(31,32)25-19-14-21-22(27(4)24(30)23(29)26(21)3)15-20(19)28-9-11-33-12-10-28/h5-8,14-16,25H,9-13H2,1-4H3 | 定義日: | 2017-01-18 | 最終更新日: | 2018-02-09 | 公開日: | 2018-02-14 | 識別子(ID): | ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide |
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![WGX WGX](https://data.pdbj.org/pdbjplus/data/cc/svg/WGX.svg) | WGX | 表記: | ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide | 組成式: | C25 H30 N4 O4 S | SMILES: | CN1C(=O)C(=O)N(C)c2cc(N3CCCCC3)c(N[S](=O)(=O)c4ccc5CCCCc5c4)cc12 | InChi: | InChI=1S/C25H30N4O4S/c1-27-22-15-20(26-34(32,33)19-11-10-17-8-4-5-9-18(17)14-19)21(29-12-6-3-7-13-29)16-23(22)28(2)25(31)24(27)30/h10-11,14-16,26H,3-9,12-13H2,1-2H3 | 定義日: | 2017-01-18 | 最終更新日: | 2018-02-09 | 公開日: | 2018-02-14 | 識別子(ID): | ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide |
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![III III](https://data.pdbj.org/pdbjplus/data/cc/svg/III.svg) | III | 表記: | ~{N},~{N}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine | 組成式: | C14 H18 N4 | SMILES: | CN(C)c1nc(nc2ccccc12)N3CCCC3 | InChi: | InChI=1S/C14H18N4/c1-17(2)13-11-7-3-4-8-12(11)15-14(16-13)18-9-5-6-10-18/h3-4,7-8H,5-6,9-10H2,1-2H3 | 定義日: | 2017-01-23 | 最終更新日: | 2018-02-09 | 公開日: | 2018-02-14 | 識別子(ID): | ~{N},~{N}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine |
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![KGU KGU](https://data.pdbj.org/pdbjplus/data/cc/svg/KGU.svg) | KGU | 表記: | ~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide | 組成式: | C24 H36 N6 O3 | SMILES: | CCN1C(=O)C(=O)N(CC)c2cc(N3CCCCC3)c(NC(=O)CN4CCN(C)CC4)cc12 | InChi: | InChI=1S/C24H36N6O3/c1-4-29-20-15-18(25-22(31)17-27-13-11-26(3)12-14-27)19(28-9-7-6-8-10-28)16-21(20)30(5-2)24(33)23(29)32/h15-16H,4-14,17H2,1-3H3,(H,25,31) | 定義日: | 2017-01-20 | 最終更新日: | 2018-02-09 | 公開日: | 2018-02-14 | 識別子(ID): | ~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide |
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![MQO MQO](https://data.pdbj.org/pdbjplus/data/cc/svg/MQO.svg) | MQO | 表記: | 8-methoxy-6-methylquinolin-4(1H)-one | 組成式: | C11 H11 N O2 | SMILES: | COc1cc(C)cc2C(C=CNc12)=O | InChi: | InChI=1S/C11H11NO2/c1-7-5-8-9(13)3-4-12-11(8)10(6-7)14-2/h3-6H,1-2H3,(H,12,13) | 定義日: | 2018-02-07 | 最終更新日: | 2018-02-09 | 公開日: | 2018-02-14 | 識別子(ID): | 8-methoxy-6-methylquinolin-4(1H)-one |
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![8ET 8ET](https://data.pdbj.org/pdbjplus/data/cc/svg/8ET.svg) | 8ET | 表記: | ~{N}-quinolin-5-ylpyridine-3-carboxamide | 組成式: | C15 H11 N3 O | SMILES: | O=C(Nc1cccc2ncccc12)c3cccnc3 | InChi: | InChI=1S/C15H11N3O/c19-15(11-4-2-8-16-10-11)18-14-7-1-6-13-12(14)5-3-9-17-13/h1-10H,(H,18,19) | 定義日: | 2017-02-01 | 最終更新日: | 2018-02-09 | 公開日: | 2018-02-14 | 識別子(ID): | ~{N}-quinolin-5-ylpyridine-3-carboxamide |
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![91S 91S](https://data.pdbj.org/pdbjplus/data/cc/svg/91S.svg) | 91S | 表記: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one | 組成式: | C21 H19 Cl F2 N4 O2 | SMILES: | O=C(N1CCN(CC1)c2c3c(ncn2)c(F)c(c(c3)Cl)c4c(O)cccc4F)CC | InChi: | InChI=1S/C21H19ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h3-5,10-11,29H,2,6-9H2,1H3 | 定義日: | 2017-03-27 | 最終更新日: | 2018-02-02 | 公開日: | 2018-02-07 | 識別子(ID): | 1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one |
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![BW7 BW7](https://data.pdbj.org/pdbjplus/data/cc/svg/BW7.svg) | BW7 | 表記: | (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol | 組成式: | C22 H29 N5 O3 | SMILES: | C1COCCN1c2cc(nc3c2cnn3C(C)C)c4cccc(c4)OCC(O)CN | InChi: | InChI=1S/C22H29N5O3/c1-15(2)27-22-19(13-24-27)21(26-6-8-29-9-7-26)11-20(25-22)16-4-3-5-18(10-16)30-14-17(28)12-23/h3-5,10-11,13,15,17,28H,6-9,12,14,23H2,1-2H3/t17-/m1/s1 | 定義日: | 2017-08-28 | 最終更新日: | 2018-02-02 | 公開日: | 2018-02-07 | 識別子(ID): | (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol |
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![8FR 8FR](https://data.pdbj.org/pdbjplus/data/cc/svg/8FR.svg) | 8FR | 表記: | 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine | 組成式: | C17 H20 Cl N7 | SMILES: | Cn1cnc(Nc2nc(nc3ccc(Cl)cc23)N4CCC(N)CC4)c1 | InChi: | InChI=1S/C17H20ClN7/c1-24-9-15(20-10-24)22-16-13-8-11(18)2-3-14(13)21-17(23-16)25-6-4-12(19)5-7-25/h2-3,8-10,12H,4-7,19H2,1H3,(H,21,22,23) | 定義日: | 2017-06-30 | 最終更新日: | 2018-02-02 | 公開日: | 2018-02-07 | 識別子(ID): | 2-(4-azanylpiperidin-1-yl)-6-chloranyl-~{N}-(1-methylimidazol-4-yl)quinazolin-4-amine |
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![8FU 8FU](https://data.pdbj.org/pdbjplus/data/cc/svg/8FU.svg) | 8FU | 表記: | [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone | 組成式: | C18 H20 Cl N7 O | SMILES: | C[CH]1CN(CCN1)C(=O)c2nc(Nc3cc(C)[nH]n3)c4cc(Cl)ccc4n2 | InChi: | InChI=1S/C18H20ClN7O/c1-10-7-15(25-24-10)22-16-13-8-12(19)3-4-14(13)21-17(23-16)18(27)26-6-5-20-11(2)9-26/h3-4,7-8,11,20H,5-6,9H2,1-2H3,(H2,21,22,23,24,25)/t11-/m1/s1 | 定義日: | 2017-06-30 | 最終更新日: | 2018-02-02 | 公開日: | 2018-02-07 | 識別子(ID): | [6-chloranyl-4-[(5-methyl-1~{H}-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3~{R})-3-methylpiperazin-1-yl]methanone |
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![8FX 8FX](https://data.pdbj.org/pdbjplus/data/cc/svg/8FX.svg) | 8FX | 表記: | [6-chloranyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone | 組成式: | C20 H22 Cl N7 O | SMILES: | C[CH]1CN(CCN1)C(=O)c2nc(Nc3cc([nH]n3)C4CC4)c5cc(Cl)ccc5n2 | InChi: | InChI=1S/C20H22ClN7O/c1-11-10-28(7-6-22-11)20(29)19-23-15-5-4-13(21)8-14(15)18(25-19)24-17-9-16(26-27-17)12-2-3-12/h4-5,8-9,11-12,22H,2-3,6-7,10H2,1H3,(H2,23,24,25,26,27)/t11-/m1/s1 | 定義日: | 2017-06-30 | 最終更新日: | 2018-02-02 | 公開日: | 2018-02-07 | 識別子(ID): | [6-chloranyl-4-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3~{R})-3-methylpiperazin-1-yl]methanone |
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