![E6G E6G](https://data.pdbj.org/pdbjplus/data/cc/svg/E6G.svg) | E6G | 表記: | 6-ethyl, guanosine-5'-monophosphate | 組成式: | C12 H18 N5 O8 P | SMILES: | CCOc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C12H18N5O8P/c1-2-23-10-6-9(15-12(13)16-10)17(4-14-6)11-8(19)7(18)5(25-11)3-24-26(20,21)22/h4-5,7-8,11,18-19H,2-3H2,1H3,(H2,13,15,16)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1 | 定義日: | 2017-09-25 | 最終更新日: | 2019-04-29 | 公開日: | 2018-01-24 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-ethoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![E7G E7G](https://data.pdbj.org/pdbjplus/data/cc/svg/E7G.svg) | E7G | 表記: | 7-ethyl, guanosine-5'-monophosphate | 組成式: | C12 H20 N5 O8 P | SMILES: | CCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N | InChi: | InChI=1S/C12H20N5O8P/c1-2-16-4-17(9-6(16)10(20)15-12(13)14-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h5,7-8,11,18-19H,2-4H2,1H3,(H2,21,22,23)(H3,13,14,15,20)/t5-,7-,8-,11-/m1/s1 | 定義日: | 2017-09-25 | 最終更新日: | 2019-04-29 | 公開日: | 2018-01-24 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-ethyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![I4U I4U](https://data.pdbj.org/pdbjplus/data/cc/svg/I4U.svg) | I4U | 表記: | 4-isopropyl, uridine-5'-monophosphate | 組成式: | C12 H19 N2 O9 P | SMILES: | CC(C)OC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C12H19N2O9P/c1-6(2)22-8-3-4-14(12(17)13-8)11-10(16)9(15)7(23-11)5-21-24(18,19)20/h3-4,6-7,9-11,15-16H,5H2,1-2H3,(H2,18,19,20)/t7-,9-,10-,11-/m1/s1 | 定義日: | 2017-09-25 | 最終更新日: | 2019-04-29 | 公開日: | 2018-01-24 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanylidene-4-propan-2-yloxy-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
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![47C 47C](https://data.pdbj.org/pdbjplus/data/cc/svg/47C.svg) | 47C | 表記: | 2'-DEOXY-N-(PROP-2-EN-1-YLOXY)CYTIDINE 5'-(DIHYDROGEN PHOSPHATE) | 組成式: | C12 H18 N3 O8 P | SMILES: | O=C1N=C(NOC/C=C)C=CN1C2OC(C(O)C2)COP(=O)(O)O | InChi: | InChI=1S/C12H18N3O8P/c1-2-5-21-14-10-3-4-15(12(17)13-10)11-6-8(16)9(23-11)7-22-24(18,19)20/h2-4,8-9,11,16H,1,5-7H2,(H,13,14,17)(H2,18,19,20)/t8-,9+,11+/m0/s1 | 定義日: | 2010-08-10 | 最終更新日: | 2019-04-29 | 識別子(ID): | 2'-deoxy-N-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate) |
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![P4U P4U](https://data.pdbj.org/pdbjplus/data/cc/svg/P4U.svg) | P4U | 表記: | 4-propyl, uridine-5'-monophosphate | 組成式: | C12 H19 N2 O9 P | SMILES: | CCCOC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C12H19N2O9P/c1-2-5-21-8-3-4-14(12(17)13-8)11-10(16)9(15)7(23-11)6-22-24(18,19)20/h3-4,7,9-11,15-16H,2,5-6H2,1H3,(H2,18,19,20)/t7-,9-,10-,11-/m1/s1 | 定義日: | 2017-09-25 | 最終更新日: | 2019-04-29 | 公開日: | 2018-01-24 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanylidene-4-propoxy-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
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![P7G P7G](https://data.pdbj.org/pdbjplus/data/cc/svg/P7G.svg) | P7G | 表記: | 7-propyl, guanosine-5'-monophosphate | 組成式: | C13 H22 N5 O8 P | SMILES: | CCCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)N=C(N)N3 | InChi: | InChI=1S/C13H22N5O8P/c1-2-3-17-5-18(10-7(17)11(21)16-13(14)15-10)12-9(20)8(19)6(26-12)4-25-27(22,23)24/h6,8-9,12,19-20H,2-5H2,1H3,(H2,22,23,24)(H3,14,15,16,21)/t6-,8-,9-,12-/m1/s1 | 定義日: | 2017-09-25 | 最終更新日: | 2019-04-29 | 公開日: | 2018-01-24 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-7-propyl-3,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![B8Q B8Q](https://data.pdbj.org/pdbjplus/data/cc/svg/B8Q.svg) | B8Q | 表記: | 3-methyl, cytidine-5'-monophosphate | 組成式: | C10 H18 N3 O8 P | SMILES: | CN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O | InChi: | InChI=1S/C10H18N3O8P/c1-12-6(11)2-3-13(10(12)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5-9,14-15H,4,11H2,1H3,(H2,17,18,19)/t5-,6+,7-,8-,9-/m1/s1 | 定義日: | 2017-09-25 | 最終更新日: | 2019-04-29 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![B9B B9B](https://data.pdbj.org/pdbjplus/data/cc/svg/B9B.svg) | B9B | 表記: | 6-propyl, guanosine-5'-monophosphate | 組成式: | C13 H20 N5 O8 P | SMILES: | CCCOc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C13H20N5O8P/c1-2-3-24-11-7-10(16-13(14)17-11)18(5-15-7)12-9(20)8(19)6(26-12)4-25-27(21,22)23/h5-6,8-9,12,19-20H,2-4H2,1H3,(H2,14,16,17)(H2,21,22,23)/t6-,8-,9-,12-/m1/s1 | 定義日: | 2017-09-25 | 最終更新日: | 2019-04-29 | 公開日: | 2018-01-24 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-propoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![J3Y J3Y](https://data.pdbj.org/pdbjplus/data/cc/svg/J3Y.svg) | J3Y | 表記: | [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone | 組成式: | C23 H24 F N7 O2 | SMILES: | c1(nc3c(cc1)c(cn3c2cc(C)nn2)C(N4CCOCC4)=O)NC(C)c5ncc(cc5)F | InChi: | InChI=1S/C23H24FN7O2/c1-14-11-21(29-28-14)31-13-18(23(32)30-7-9-33-10-8-30)17-4-6-20(27-22(17)31)26-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1 | 定義日: | 2018-08-08 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone |
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![J4M J4M](https://data.pdbj.org/pdbjplus/data/cc/svg/J4M.svg) | J4M | 表記: | N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine | 組成式: | C18 H16 F2 N6 | SMILES: | c4(NC(c1ccc(cc1F)F)C)ccc2n(c(cn2)c3cc(C)nn3)n4 | InChi: | InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1 | 定義日: | 2018-08-10 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine |
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![L4Y L4Y](https://data.pdbj.org/pdbjplus/data/cc/svg/L4Y.svg) | L4Y | 表記: | (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide | 組成式: | C19 H22 N4 O3 | SMILES: | C4c3c(c(C(=O)NC1C(N(c2c(OC1)cccc2)C)=O)nn3)CC(C4)C | InChi: | InChI=1S/C19H22N4O3/c1-11-7-8-13-12(9-11)17(22-21-13)18(24)20-14-10-26-16-6-4-3-5-15(16)23(2)19(14)25/h3-6,11,14H,7-10H2,1-2H3,(H,20,24)(H,21,22)/t11-,14+/m1/s1 | 定義日: | 2019-02-06 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide |
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![FCQ FCQ](https://data.pdbj.org/pdbjplus/data/cc/svg/FCQ.svg) | FCQ | 表記: | 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | 組成式: | C22 H25 N7 S | SMILES: | CC(C)c1[nH]nc2c(NCc3ccc(cc3)c4ccccn4)nc(SCCN)nc12 | InChi: | InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27) | 定義日: | 2018-06-20 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
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![E1J E1J](https://data.pdbj.org/pdbjplus/data/cc/svg/E1J.svg) | E1J | 表記: | N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide | 組成式: | C21 H30 N6 O3 | SMILES: | c21c(cc(c(c1)OCCN)OC)c(NCCCNC([C@H]=C)=O)nc(n2)N3CCCC3 | InChi: | InChI=1S/C21H30N6O3/c1-3-19(28)23-8-6-9-24-20-15-13-17(29-2)18(30-12-7-22)14-16(15)25-21(26-20)27-10-4-5-11-27/h3,13-14H,1,4-12,22H2,2H3,(H,23,28)(H,24,25,26) | 定義日: | 2017-11-22 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide |
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![JRQ JRQ](https://data.pdbj.org/pdbjplus/data/cc/svg/JRQ.svg) | JRQ | 表記: | ethyl 2-[(2~{R})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate | 組成式: | C16 H22 N2 O3 | SMILES: | CCOC(=O)C[CH]1N(CCNC1=O)Cc2ccc(C)cc2 | InChi: | InChI=1S/C16H22N2O3/c1-3-21-15(19)10-14-16(20)17-8-9-18(14)11-13-6-4-12(2)5-7-13/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)/t14-/m1/s1 | 定義日: | 2019-03-22 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | ethyl 2-[(2~{R})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate |
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![K47 K47](https://data.pdbj.org/pdbjplus/data/cc/svg/K47.svg) | K47 | 表記: | [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone | 組成式: | C22 H29 N7 O3 | SMILES: | n1(c3c(nc1c2c(C)n(nc2)CC)c(ncn3)OC5CN(C(=O)C4CCOCC4)CC5)C | InChi: | InChI=1S/C22H29N7O3/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m0/s1 | 定義日: | 2018-10-26 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone |
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![K4A K4A](https://data.pdbj.org/pdbjplus/data/cc/svg/K4A.svg) | K4A | 表記: | 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one | 組成式: | C23 H26 N10 O | SMILES: | n1(c6c(nc1c2c(C)n(nc2)CC)c(N3CCC(CC3)N4c5c(NC4=O)nccc5)ncn6)C | InChi: | InChI=1S/C23H26N10O/c1-4-32-14(2)16(12-27-32)20-28-18-21(30(20)3)25-13-26-22(18)31-10-7-15(8-11-31)33-17-6-5-9-24-19(17)29-23(33)34/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3,(H,24,29,34) | 定義日: | 2018-10-26 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one |
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![K4K K4K](https://data.pdbj.org/pdbjplus/data/cc/svg/K4K.svg) | K4K | 表記: | (3~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide | 組成式: | C17 H18 N2 O3 S | SMILES: | O[C]1(CCN(C1=O)c2ccccc2)C(=O)NCCc3sccc3 | InChi: | InChI=1S/C17H18N2O3S/c20-15(18-10-8-14-7-4-12-23-14)17(22)9-11-19(16(17)21)13-5-2-1-3-6-13/h1-7,12,22H,8-11H2,(H,18,20)/t17-/m0/s1 | 定義日: | 2019-04-23 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | (3~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide |
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![FQ1 FQ1](https://data.pdbj.org/pdbjplus/data/cc/svg/FQ1.svg) | FQ1 | 表記: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate | 組成式: | C29 H38 F2 N2 O8 S | SMILES: | c1(OC)ccc(cc1)S(=O)(N(CC(C(Cc2cc(cc(c2)F)F)NC(=O)OC3CCOC4OCCC34)O)CC(C)C)=O | InChi: | InChI=1S/C29H38F2N2O8S/c1-18(2)16-33(42(36,37)23-6-4-22(38-3)5-7-23)17-26(34)25(14-19-12-20(30)15-21(31)13-19)32-29(35)41-27-9-11-40-28-24(27)8-10-39-28/h4-7,12-13,15,18,24-28,34H,8-11,14,16-17H2,1-3H3,(H,32,35)/t24-,25-,26+,27-,28+/m0/s1 | 定義日: | 2018-04-11 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
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![FQ4 FQ4](https://data.pdbj.org/pdbjplus/data/cc/svg/FQ4.svg) | FQ4 | 表記: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate | 組成式: | C29 H39 F N2 O8 S | SMILES: | c1(OC)ccc(cc1)S(=O)(N(CC(C)C)CC(C(Cc2ccc(cc2)F)NC(=O)OC3CCOC4C3CCO4)O)=O | InChi: | InChI=1S/C29H39FN2O8S/c1-19(2)17-32(41(35,36)23-10-8-22(37-3)9-11-23)18-26(33)25(16-20-4-6-21(30)7-5-20)31-29(34)40-27-13-15-39-28-24(27)12-14-38-28/h4-11,19,24-28,33H,12-18H2,1-3H3,(H,31,34)/t24-,25-,26+,27-,28+/m0/s1 | 定義日: | 2018-04-11 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
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![FWG FWG](https://data.pdbj.org/pdbjplus/data/cc/svg/FWG.svg) | FWG | 表記: | cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | 組成式: | C21 H27 N3 O3 S | SMILES: | C1CN(CCN1C(=O)C2CCCCCC2)S(=O)(=O)c4c3ccncc3ccc4 | InChi: | InChI=1S/C21H27N3O3S/c25-21(17-6-3-1-2-4-7-17)23-12-14-24(15-13-23)28(26,27)20-9-5-8-18-16-22-11-10-19(18)20/h5,8-11,16-17H,1-4,6-7,12-15H2 | 定義日: | 2018-04-23 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone |
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![FWJ FWJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FWJ.svg) | FWJ | 表記: | 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one | 組成式: | C21 H20 F N3 O3 S | SMILES: | C1CN(CCN1C(Cc2ccc(F)cc2)=O)S(c4c3ccncc3ccc4)(=O)=O | InChi: | InChI=1S/C21H20FN3O3S/c22-18-6-4-16(5-7-18)14-21(26)24-10-12-25(13-11-24)29(27,28)20-3-1-2-17-15-23-9-8-19(17)20/h1-9,15H,10-14H2 | 定義日: | 2018-04-23 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
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![FWM FWM](https://data.pdbj.org/pdbjplus/data/cc/svg/FWM.svg) | FWM | 表記: | 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one | 組成式: | C21 H27 N3 O3 S | SMILES: | C1CN(CCN1C(=O)CC2CCCCC2)S(=O)(=O)c4c3ccncc3ccc4 | InChi: | InChI=1S/C21H27N3O3S/c25-21(15-17-5-2-1-3-6-17)23-11-13-24(14-12-23)28(26,27)20-8-4-7-18-16-22-10-9-19(18)20/h4,7-10,16-17H,1-3,5-6,11-15H2 | 定義日: | 2018-04-23 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
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![FWP FWP](https://data.pdbj.org/pdbjplus/data/cc/svg/FWP.svg) | FWP | 表記: | 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one | 組成式: | C23 H25 N3 O5 S | SMILES: | C1CN(CCN1C(Cc2c(cc(OC)cc2)OC)=O)S(=O)(=O)c4c3ccncc3ccc4 | InChi: | InChI=1S/C23H25N3O5S/c1-30-19-7-6-17(21(15-19)31-2)14-23(27)25-10-12-26(13-11-25)32(28,29)22-5-3-4-18-16-24-9-8-20(18)22/h3-9,15-16H,10-14H2,1-2H3 | 定義日: | 2018-04-23 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
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![FWS FWS](https://data.pdbj.org/pdbjplus/data/cc/svg/FWS.svg) | FWS | 表記: | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide | 組成式: | C22 H22 N4 O5 S | SMILES: | c15OCOc1ccc(NC(N2C(C)CN(CC2)S(c4c3ccncc3ccc4)(=O)=O)=O)c5 | InChi: | InChI=1S/C22H22N4O5S/c1-15-13-25(32(28,29)21-4-2-3-16-12-23-8-7-18(16)21)9-10-26(15)22(27)24-17-5-6-19-20(11-17)31-14-30-19/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,27)/t15-/m0/s1 | 定義日: | 2018-04-23 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide |
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![FWV FWV](https://data.pdbj.org/pdbjplus/data/cc/svg/FWV.svg) | FWV | 表記: | N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide | 組成式: | C20 H18 Cl2 N4 O3 S | SMILES: | C(=O)(Nc1cccc(Cl)c1Cl)N2CCN(CC2)S(c4c3ccncc3ccc4)(=O)=O | InChi: | InChI=1S/C20H18Cl2N4O3S/c21-16-4-2-5-17(19(16)22)24-20(27)25-9-11-26(12-10-25)30(28,29)18-6-1-3-14-13-23-8-7-15(14)18/h1-8,13H,9-12H2,(H,24,27) | 定義日: | 2018-04-23 | 最終更新日: | 2019-04-26 | 公開日: | 2019-05-01 | 識別子(ID): | N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide |
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