![HHW HHW](https://data.pdbj.org/pdbjplus/data/cc/svg/HHW.svg) | HHW | 表記: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid | 組成式: | C16 H12 Cl N O3 | SMILES: | OC(=O)C=Cc1cccc(c1)C(=O)Nc2ccc(Cl)cc2 | InChi: | InChI=1S/C16H12ClNO3/c17-13-5-7-14(8-6-13)18-16(21)12-3-1-2-11(10-12)4-9-15(19)20/h1-10H,(H,18,21)(H,19,20)/b9-4+ | 定義日: | 2018-12-06 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid |
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![HJK HJK](https://data.pdbj.org/pdbjplus/data/cc/svg/HJK.svg) | HJK | 表記: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid | 組成式: | C13 H11 N5 O2 | SMILES: | Nc1nc2[nH]cnc2c(n1)c3cccc(CC(O)=O)c3 | InChi: | InChI=1S/C13H11N5O2/c14-13-17-10(11-12(18-13)16-6-15-11)8-3-1-2-7(4-8)5-9(19)20/h1-4,6H,5H2,(H,19,20)(H3,14,15,16,17,18) | 定義日: | 2018-12-10 | 最終更新日: | 2019-03-15 | 公開日: | 2019-03-20 | 識別子(ID): | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid |
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![L8A L8A](https://data.pdbj.org/pdbjplus/data/cc/svg/L8A.svg) | L8A | 表記: | 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one | 組成式: | C26 H26 F7 N3 O5 S | SMILES: | c1c(C(C(F)(F)F)(C(F)(F)F)O)ccc(c1)C3(CN(C(=O)N2CCN(C(=O)C)CC2)CC3)S(c4ccc(F)cc4)(=O)=O | InChi: | InChI=1S/C26H26F7N3O5S/c1-17(37)34-12-14-35(15-13-34)22(38)36-11-10-23(16-36,42(40,41)21-8-6-20(27)7-9-21)18-2-4-19(5-3-18)24(39,25(28,29)30)26(31,32)33/h2-9,39H,10-16H2,1H3/t23-/m0/s1 | 定義日: | 2019-02-12 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one |
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![CG5 CG5](https://data.pdbj.org/pdbjplus/data/cc/svg/CG5.svg) | CG5 | 表記: | (9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide | 組成式: | C35 H34 F N5 O5 | SMILES: | COc1ccc(cc1)c2cc(n3C[CH]4[CH](O)[CH](O)CN4Cc23)C(=O)Nc5cc(ccn5)c6c(onc6c7ccc(F)cc7)C(C)C | InChi: | InChI=1S/C35H34FN5O5/c1-19(2)34-31(32(39-46-34)21-4-8-23(36)9-5-21)22-12-13-37-30(14-22)38-35(44)26-15-25(20-6-10-24(45-3)11-7-20)27-16-40-18-29(42)33(43)28(40)17-41(26)27/h4-15,19,28-29,33,42-43H,16-18H2,1-3H3,(H,37,38,44)/t28-,29+,33-/m1/s1 | 定義日: | 2017-11-25 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | (9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide |
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![XLN XLN](https://data.pdbj.org/pdbjplus/data/cc/svg/XLN.svg) | XLN | 表記: | N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide | 組成式: | C17 H33 N2 O8 P S | SMILES: | CCC[C@H]=[C@H]S(CCCNC(CCNC(C(C(COP(O)O)(C)C)O)=O)=O)(=O)=O | InChi: | InChI=1S/C17H33N2O8PS/c1-4-5-6-11-29(25,26)12-7-9-18-14(20)8-10-19-16(22)15(21)17(2,3)13-27-28(23)24/h6,11,15,21,23-24H,4-5,7-10,12-13H2,1-3H3,(H,18,20)(H,19,22)/b11-6-/t15-/m0/s1 | 定義日: | 2018-11-16 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide |
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![E2K E2K](https://data.pdbj.org/pdbjplus/data/cc/svg/E2K.svg) | E2K | 表記: | 4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid | 組成式: | C14 H18 N8 O5 S | SMILES: | Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O)c(SCCCC(O)=O)nc12 | InChi: | InChI=1S/C14H18N8O5S/c15-11-8-12(18-5-17-11)22(14(20-8)28-3-1-2-7(23)24)13-10(26)9(25)6(27-13)4-19-21-16/h5-6,9-10,13,25-26H,1-4H2,(H,23,24)(H2,15,17,18)/t6-,9-,10-,13-/m1/s1 | 定義日: | 2018-02-13 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid |
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![E2Q E2Q](https://data.pdbj.org/pdbjplus/data/cc/svg/E2Q.svg) | E2Q | 表記: | 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide | 組成式: | C12 H8 N4 O6 S | SMILES: | N[S](=O)(=O)c1cccc2c3NC(=O)C(=O)Nc3cc(c12)[N+]([O-])=O | InChi: | InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22) | 定義日: | 2018-02-14 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide |
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![E3K E3K](https://data.pdbj.org/pdbjplus/data/cc/svg/E3K.svg) | E3K | 表記: | azanylidene-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium | 組成式: | C14 H20 N9 O4 S2 | SMILES: | Nc1ncnc2n([CH]3O[CH](CN=[N+]=N)[CH](O)[CH]3O)c(SCC(=O)NCCS)nc12 | InChi: | InChI=1S/C14H19N9O4S2/c15-11-8-12(19-5-18-11)23(14(21-8)29-4-7(24)17-1-2-28)13-10(26)9(25)6(27-13)3-20-22-16/h5-6,9-10,13,16,25-26H,1-4H2,(H3-,15,17,18,19,24,28)/p+1/t6-,9-,10-,13-/m1/s1 | 定義日: | 2018-02-15 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | azanylidene-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium |
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![E3Q E3Q](https://data.pdbj.org/pdbjplus/data/cc/svg/E3Q.svg) | E3Q | 表記: | 1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1H-pyrazol-5-one | 組成式: | C27 H34 N2 O4 | SMILES: | COc1ccccc1COc2cc(ccc2OC)C3=NN(C4CCCCCC4)C(=O)C3(C)C | InChi: | InChI=1S/C27H34N2O4/c1-27(2)25(28-29(26(27)30)21-12-7-5-6-8-13-21)19-15-16-23(32-4)24(17-19)33-18-20-11-9-10-14-22(20)31-3/h9-11,14-17,21H,5-8,12-13,18H2,1-4H3 | 定義日: | 2018-02-16 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 2-cycloheptyl-5-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-4,4-dimethyl-pyrazol-3-one |
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![E3Z E3Z](https://data.pdbj.org/pdbjplus/data/cc/svg/E3Z.svg) | E3Z | 表記: | ~{N}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide | 組成式: | C19 H16 Cl N5 O | SMILES: | Clc1cnc(Nc2ccccc2)nc1Nc3cccc(NC(=O)C=C)c3 | InChi: | InChI=1S/C19H16ClN5O/c1-2-17(26)22-14-9-6-10-15(11-14)23-18-16(20)12-21-19(25-18)24-13-7-4-3-5-8-13/h2-12H,1H2,(H,22,26)(H2,21,23,24,25) | 定義日: | 2018-02-16 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | ~{N}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide |
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![E48 E48](https://data.pdbj.org/pdbjplus/data/cc/svg/E48.svg) | E48 | 表記: | 6-azanyl-2-[[(1~{R},2~{S},6~{S},9~{R})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one | 組成式: | C21 H26 N6 O6 | SMILES: | CC1(C)O[CH]2CO[C]3(CNc4[nH]c5cc6N=C(N)NC(=O)c6cc5n4)OC(C)(C)O[CH]3[CH]2O1 | InChi: | InChI=1S/C21H26N6O6/c1-19(2)30-13-7-29-21(15(14(13)31-19)32-20(3,4)33-21)8-23-18-25-11-5-9-10(6-12(11)26-18)24-17(22)27-16(9)28/h5-6,13-15H,7-8H2,1-4H3,(H2,23,25,26)(H3,22,24,27,28)/t13-,14-,15+,21+/m1/s1 | 定義日: | 2018-02-17 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 6-azanyl-2-[[(1~{R},2~{S},6~{S},9~{R})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one |
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![E4E E4E](https://data.pdbj.org/pdbjplus/data/cc/svg/E4E.svg) | E4E | 表記: | 6-azanyl-2-[[(2~{R},3~{S},4~{R},5~{R})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one | 組成式: | C15 H18 N6 O5 | SMILES: | CO[CH]1O[CH](CNc2[nH]c3cc4N=C(N)NC(=O)c4cc3n2)[CH](O)[CH]1O | InChi: | InChI=1S/C15H18N6O5/c1-25-13-11(23)10(22)9(26-13)4-17-15-19-7-2-5-6(3-8(7)20-15)18-14(16)21-12(5)24/h2-3,9-11,13,22-23H,4H2,1H3,(H2,17,19,20)(H3,16,18,21,24)/t9-,10-,11-,13-/m1/s1 | 定義日: | 2018-02-17 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 6-azanyl-2-[[(2~{R},3~{S},4~{R},5~{R})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one |
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![E7Q E7Q](https://data.pdbj.org/pdbjplus/data/cc/svg/E7Q.svg) | E7Q | 表記: | ~{N}-[(3~{S})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{N}-oxidanyl-hexanamide | 組成式: | C16 H19 Cl N2 O4 | SMILES: | CCCCCC(=O)N(O)[CH]1CC(=O)N(C1=O)c2ccc(Cl)cc2 | InChi: | InChI=1S/C16H19ClN2O4/c1-2-3-4-5-14(20)19(23)13-10-15(21)18(16(13)22)12-8-6-11(17)7-9-12/h6-9,13,23H,2-5,10H2,1H3/t13-/m0/s1 | 定義日: | 2018-02-26 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | ~{N}-[(3~{S})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{N}-oxidanyl-hexanamide |
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![EM5 EM5](https://data.pdbj.org/pdbjplus/data/cc/svg/EM5.svg) | EM5 | 表記: | 4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide | 組成式: | C15 H22 Cl N3 O4 S | SMILES: | N[S](=O)(=O)c1cc(C(=O)NCCO)c(NC2CCCCC2)cc1Cl | InChi: | InChI=1S/C15H22ClN3O4S/c16-12-9-13(19-10-4-2-1-3-5-10)11(15(21)18-6-7-20)8-14(12)24(17,22)23/h8-10,19-20H,1-7H2,(H,18,21)(H2,17,22,23) | 定義日: | 2018-03-29 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide |
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![ENN ENN](https://data.pdbj.org/pdbjplus/data/cc/svg/ENN.svg) | ENN | 表記: | ~{N}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide | 組成式: | C11 H14 Cl2 N2 O3 S | SMILES: | CCCCNC(=O)c1cc(c(Cl)cc1Cl)[S](N)(=O)=O | InChi: | InChI=1S/C11H14Cl2N2O3S/c1-2-3-4-15-11(16)7-5-10(19(14,17)18)9(13)6-8(7)12/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18) | 定義日: | 2018-04-02 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | ~{N}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide |
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![EOQ EOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/EOQ.svg) | EOQ | 表記: | 4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide | 組成式: | C16 H18 Cl N3 O4 S | SMILES: | N[S](=O)(=O)c1cc(C(=O)NCCO)c(NCc2ccccc2)cc1Cl | InChi: | InChI=1S/C16H18ClN3O4S/c17-13-9-14(20-10-11-4-2-1-3-5-11)12(16(22)19-6-7-21)8-15(13)25(18,23)24/h1-5,8-9,20-21H,6-7,10H2,(H,19,22)(H2,18,23,24) | 定義日: | 2018-04-05 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide |
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![KKY KKY](https://data.pdbj.org/pdbjplus/data/cc/svg/KKY.svg) | KKY | 表記: | 6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine | 組成式: | C21 H28 F N3 | SMILES: | c3(cc(CCC1N(CCC1)C)cc(CCc2cc(cc(N)n2)C)c3)F | InChi: | InChI=1S/C21H28FN3/c1-15-10-19(24-21(23)11-15)7-5-16-12-17(14-18(22)13-16)6-8-20-4-3-9-25(20)2/h10-14,20H,3-9H2,1-2H3,(H2,23,24)/t20-/m1/s1 | 定義日: | 2019-01-02 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine |
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![KL1 KL1](https://data.pdbj.org/pdbjplus/data/cc/svg/KL1.svg) | KL1 | 表記: | 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine | 組成式: | C19 H25 F2 N3 | SMILES: | c2(CCc1cc(C)cc(n1)N)cc(CCCN(C)C)cc(c2F)F | InChi: | InChI=1S/C19H25F2N3/c1-13-9-16(23-18(22)10-13)7-6-15-11-14(5-4-8-24(2)3)12-17(20)19(15)21/h9-12H,4-8H2,1-3H3,(H2,22,23) | 定義日: | 2019-01-02 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine |
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![KL4 KL4](https://data.pdbj.org/pdbjplus/data/cc/svg/KL4.svg) | KL4 | 表記: | 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine | 組成式: | C20 H26 F N3 | SMILES: | c1(nc(cc(c1)C)CCc2cc(cc(c2)F)CCC3NCCC3)N | InChi: | InChI=1S/C20H26FN3/c1-14-9-19(24-20(22)10-14)7-5-16-11-15(12-17(21)13-16)4-6-18-3-2-8-23-18/h9-13,18,23H,2-8H2,1H3,(H2,22,24)/t18-/m1/s1 | 定義日: | 2019-01-02 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine |
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![KL7 KL7](https://data.pdbj.org/pdbjplus/data/cc/svg/KL7.svg) | KL7 | 表記: | 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine | 組成式: | C19 H25 F2 N3 | SMILES: | CN(C)CCCc1c(c(c(cc1)F)CCc2cc(cc(n2)N)C)F | InChi: | InChI=1S/C19H25F2N3/c1-13-11-15(23-18(22)12-13)7-8-16-17(20)9-6-14(19(16)21)5-4-10-24(2)3/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H2,22,23) | 定義日: | 2019-01-02 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine |
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![KLA KLA](https://data.pdbj.org/pdbjplus/data/cc/svg/KLA.svg) | KLA | 表記: | 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine | 組成式: | C20 H25 F2 N3 | SMILES: | c1(N)nc(cc(c1)C)CCc2cc(cc(c2)F)CCC3CC(CN3)F | InChi: | InChI=1S/C20H25F2N3/c1-13-6-19(25-20(23)7-13)5-3-15-8-14(9-16(21)10-15)2-4-18-11-17(22)12-24-18/h6-10,17-18,24H,2-5,11-12H2,1H3,(H2,23,25)/t17-,18+/m0/s1 | 定義日: | 2019-01-02 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine |
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![KLD KLD](https://data.pdbj.org/pdbjplus/data/cc/svg/KLD.svg) | KLD | 表記: | 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine | 組成式: | C21 H27 F2 N3 | SMILES: | c1(cc(cc(c1)CCc2cc(cc(n2)N)C)CCC3CC(CN3C)F)F | InChi: | InChI=1S/C21H27F2N3/c1-14-7-19(25-21(24)8-14)5-3-15-9-16(11-17(22)10-15)4-6-20-12-18(23)13-26(20)2/h7-11,18,20H,3-6,12-13H2,1-2H3,(H2,24,25)/t18-,20+/m0/s1 | 定義日: | 2019-01-02 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine |
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![KLM KLM](https://data.pdbj.org/pdbjplus/data/cc/svg/KLM.svg) | KLM | 表記: | 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione | 組成式: | C26 H28 N6 O4 | SMILES: | CN(C)CC(COc5ccc(Nc4ncc1c(N(C(C(N1)=O)=O)c3cc2CCCc2cc3)n4)cc5)O | InChi: | InChI=1S/C26H28N6O4/c1-31(2)14-20(33)15-36-21-10-7-18(8-11-21)28-26-27-13-22-23(30-26)32(25(35)24(34)29-22)19-9-6-16-4-3-5-17(16)12-19/h6-13,20,33H,3-5,14-15H2,1-2H3,(H,29,34)(H,27,28,30)/t20-/m0/s1 | 定義日: | 2019-01-02 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione |
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![KLP KLP](https://data.pdbj.org/pdbjplus/data/cc/svg/KLP.svg) | KLP | 表記: | N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide | 組成式: | C21 H22 N4 O3 S | SMILES: | CS(=O)(=O)NC4=CC3=CC=1C(N=NC=1NCc2c(cccc2C)C)=C3C=C4OC | InChi: | InChI=1S/C21H22N4O3S/c1-12-6-5-7-13(2)17(12)11-22-21-16-8-14-9-18(25-29(4,26)27)19(28-3)10-15(14)20(16)23-24-21/h5-10,25H,11H2,1-4H3,(H,22,24) | 定義日: | 2019-01-02 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide |
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![KLY KLY](https://data.pdbj.org/pdbjplus/data/cc/svg/KLY.svg) | KLY | 表記: | 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine | 組成式: | C18 H20 F N3 | SMILES: | c2(cc(CCc1cc(C)cc(N)n1)cc(c2)F)C#CCNC | InChi: | InChI=1S/C18H20FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,5-7H2,1-2H3,(H2,20,22) | 定義日: | 2019-01-02 | 最終更新日: | 2019-03-08 | 公開日: | 2019-03-13 | 識別子(ID): | 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine |
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