![0BQ 0BQ](https://data.pdbj.org/pdbjplus/data/cc/svg/0BQ.svg) | 0BQ | 表記: | 5-(1H-benzimidazol-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one | 組成式: | C9 H7 N5 O | SMILES: | O=C1NC(=NN1)c1[NH]c2ccccc2n1 | InChi: | InChI=1S/C9H7N5O/c15-9-12-8(13-14-9)7-10-5-3-1-2-4-6(5)11-7/h1-4H,(H,10,11)(H2,12,13,14,15) | 定義日: | 2021-06-07 | 最終更新日: | 2021-09-03 | 公開日: | 2021-09-08 | 識別子(ID): | 5-(1H-benzimidazol-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
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![0CI 0CI](https://data.pdbj.org/pdbjplus/data/cc/svg/0CI.svg) | 0CI | 表記: | 5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one | 組成式: | C18 H19 N5 O3 | SMILES: | CCC(=O)N1CCC(C1)Oc1nc(cc2ccccc12)C=1NC(=O)NN=1 | InChi: | InChI=1S/C18H19N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h3-6,9,12H,2,7-8,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1 | 定義日: | 2021-06-07 | 最終更新日: | 2021-09-03 | 公開日: | 2021-09-08 | 識別子(ID): | 5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
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![7OI 7OI](https://data.pdbj.org/pdbjplus/data/cc/svg/7OI.svg) | 7OI | 表記: | (1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide | 組成式: | C33 H28 F3 N O6 S | SMILES: | O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCc2ccccc2)cc1 | InChi: | InChI=1S/C33H28F3NO6S/c34-33(35,36)20-37(24-10-16-27(17-11-24)42-19-21-4-2-1-3-5-21)44(40,41)29-18-28-30(22-6-12-25(38)13-7-22)31(32(29)43-28)23-8-14-26(39)15-9-23/h1-17,28-29,32,38-39H,18-20H2/t28-,29+,32+/m0/s1 | 定義日: | 2021-08-14 | 最終更新日: | 2021-09-03 | 公開日: | 2021-09-08 | 識別子(ID): | (1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
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![7OR 7OR](https://data.pdbj.org/pdbjplus/data/cc/svg/7OR.svg) | 7OR | 表記: | (1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide | 組成式: | C34 H30 F3 N O6 S | SMILES: | O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1)N(CC(F)(F)F)c1ccc(OC)cc1 | InChi: | InChI=1S/C34H30F3NO6S/c1-42-27-17-11-25(12-18-27)38(21-34(35,36)37)45(40,41)30-19-29-31(23-7-13-26(39)14-8-23)32(33(30)44-29)24-9-15-28(16-10-24)43-20-22-5-3-2-4-6-22/h2-18,29-30,33,39H,19-21H2,1H3/t29-,30+,33+/m0/s1 | 定義日: | 2021-08-16 | 最終更新日: | 2021-09-03 | 公開日: | 2021-09-08 | 識別子(ID): | (1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
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![7Q5 7Q5](https://data.pdbj.org/pdbjplus/data/cc/svg/7Q5.svg) | 7Q5 | 表記: | methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate | 組成式: | C30 H26 F3 N O7 S | SMILES: | O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(C=C/C(=O)OC)cc1 | InChi: | InChI=1S/C30H26F3NO7S/c1-40-26(37)15-4-18-2-9-21(10-3-18)34(17-30(31,32)33)42(38,39)25-16-24-27(19-5-11-22(35)12-6-19)28(29(25)41-24)20-7-13-23(36)14-8-20/h2-15,24-25,29,35-36H,16-17H2,1H3/t24-,25+,29+/m0/s1 | 定義日: | 2021-08-17 | 最終更新日: | 2021-09-03 | 公開日: | 2021-09-08 | 識別子(ID): | methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate |
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![81H 81H](https://data.pdbj.org/pdbjplus/data/cc/svg/81H.svg) | 81H | 表記: | (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol | 組成式: | C22 H14 F7 N5 O2 | SMILES: | OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)c1ccc(OC(F)(F)F)cc1 | InChi: | InChI=1S/C22H14F7N5O2/c23-15-4-7-17(18(24)9-15)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-5-16(6-2-13)36-22(27,28)29/h1-10,12,35H,11H2/t20-/m0/s1 | 定義日: | 2021-08-30 | 最終更新日: | 2021-09-03 | 公開日: | 2021-09-08 | 識別子(ID): | (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol |
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![MRQ MRQ](https://data.pdbj.org/pdbjplus/data/cc/svg/MRQ.svg) | MRQ | 表記: | (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide | 組成式: | C30 H38 N8 O5 S | SMILES: | NC(=N)NCCC[CH]1NC(=O)Cc2cccn2C(=O)CN(Cc3occc3)Cc4ccccc4CSC[CH](NC1=O)C(N)=O | InChi: | InChI=1S/C30H38N8O5S/c31-28(41)25-19-44-18-21-7-2-1-6-20(21)15-37(16-23-9-5-13-43-23)17-27(40)38-12-4-8-22(38)14-26(39)35-24(29(42)36-25)10-3-11-34-30(32)33/h1-2,4-9,12-13,24-25H,3,10-11,14-19H2,(H2,31,41)(H,35,39)(H,36,42)(H4,32,33,34)/t24-,25-/m0/s1 | 別名: | macrocycle N14-PR4-A | 定義日: | 2019-10-22 | 最終更新日: | 2021-08-28 | 公開日: | 2020-09-30 | 識別子(ID): | (14~{S},17~{R})-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide |
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![ODB ODB](https://data.pdbj.org/pdbjplus/data/cc/svg/ODB.svg) | ODB | 表記: | (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide | 組成式: | C33 H46 N8 O5 S | SMILES: | NC(=N)NCCC[CH]1NC(=O)C[CH]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4ccccc4CSC[CH](NC1=O)C(N)=O | InChi: | InChI=1S/C33H46N8O5S/c34-31(45)28-21-47-20-25-10-4-2-8-23(25)17-40(16-22-7-1-3-9-24(22)19-42)18-30(44)41-14-6-11-26(41)15-29(43)38-27(32(46)39-28)12-5-13-37-33(35)36/h1-4,7-10,26-28,42H,5-6,11-21H2,(H2,34,45)(H,38,43)(H,39,46)(H4,35,36,37)/t26-,27-,28-/m0/s1 | 別名: | P2 macrocycle | 定義日: | 2020-02-27 | 最終更新日: | 2021-08-28 | 公開日: | 2020-03-18 | 識別子(ID): | (10~{S},14~{S},17~{R})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide |
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![UF8 UF8](https://data.pdbj.org/pdbjplus/data/cc/svg/UF8.svg) | UF8 | 表記: | 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | 組成式: | C21 H17 N O3 S2 | SMILES: | O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5 | InChi: | InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | 別名: | 2-morpholino-6-(thianthren-1-yl)-4H-pyran-4-one | 定義日: | 2021-02-12 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one |
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![Z2V Z2V](https://data.pdbj.org/pdbjplus/data/cc/svg/Z2V.svg) | Z2V | 表記: | N-[(1R,3S,4R,5S)-3-{(1R)-2-[(2R,4r,6S)-2,6-dihydroxypiperidin-4-yl]-1-hydroxyethyl}-4-hydroxy-1,5-dimethylcyclohexyl]benzamide | 組成式: | C22 H28 N2 O5 | SMILES: | O=C1CC(CC(O)C2CC(C)(NC(=O)c3ccccc3)CC(C)C2=O)CC(=O)N1 | InChi: | InChI=1S/C22H28N2O5/c1-13-11-22(2,24-21(29)15-6-4-3-5-7-15)12-16(20(13)28)17(25)8-14-9-18(26)23-19(27)10-14/h3-7,13-14,16-17,25H,8-12H2,1-2H3,(H,24,29)(H,23,26,27)/t13-,16-,17+,22+/m0/s1 | 定義日: | 2021-04-07 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | N-{(1R,3S,5S)-3-[(1R)-2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl}benzamide |
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![ZP6 ZP6](https://data.pdbj.org/pdbjplus/data/cc/svg/ZP6.svg) | ZP6 | 表記: | (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid | 組成式: | C22 H24 N2 O5 | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3 | InChi: | InChI=1S/C22H24N2O5/c25-20(23-18(21(26)27)14-16-8-3-1-4-9-16)19-12-7-13-24(19)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,26,27)/t18-,19-/m0/s1 | 定義日: | 2020-08-07 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | (2~{S})-3-phenyl-2-[[(2~{S})-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid |
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![UGK UGK](https://data.pdbj.org/pdbjplus/data/cc/svg/UGK.svg) | UGK | 表記: | 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one | 組成式: | C23 H21 F N6 O3 | SMILES: | COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc4c23)c5cn(C)nc5C | InChi: | InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3 | 定義日: | 2021-02-16 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one |
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![W8M W8M](https://data.pdbj.org/pdbjplus/data/cc/svg/W8M.svg) | W8M | 表記: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate | 組成式: | C27 H22 Cl2 N2 O3 | SMILES: | c4(c1c(cccc1)Cl)c(c2c(cccc2)Cl)nc(c3cccc(c3OC(COC)=O)CC=C)n4 | InChi: | InChI=1S/C27H22Cl2N2O3/c1-3-9-17-10-8-13-20(26(17)34-23(32)16-33-2)27-30-24(18-11-4-6-14-21(18)28)25(31-27)19-12-5-7-15-22(19)29/h3-8,10-15H,1,9,16H2,2H3,(H,30,31) | 定義日: | 2020-09-29 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate |
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![ZRY ZRY](https://data.pdbj.org/pdbjplus/data/cc/svg/ZRY.svg) | ZRY | 表記: | (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine | 組成式: | C14 H12 N4 | SMILES: | N=C1N/C(=NNc2ccccc2)c2ccccc12 | InChi: | InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)14(16-13)18-17-10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18) | 定義日: | 2021-05-28 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine |
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![ZSA ZSA](https://data.pdbj.org/pdbjplus/data/cc/svg/ZSA.svg) | ZSA | 表記: | (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide | 組成式: | C9 H10 N6 | SMILES: | N=C(N)NN=C1/N=C(N)c2ccccc21 | InChi: | InChI=1S/C9H10N6/c10-7-5-3-1-2-4-6(5)8(13-7)14-15-9(11)12/h1-4H,(H2,10,13,14)(H4,11,12,15) | 定義日: | 2021-05-28 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide |
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![ZSD ZSD](https://data.pdbj.org/pdbjplus/data/cc/svg/ZSD.svg) | ZSD | 表記: | 6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine | 組成式: | C18 H24 N8 O | SMILES: | CN(Cc1c(C)onc1C)Cc1cc2CN(CCn2n1)c1cc(N)ncn1 | InChi: | InChI=1S/C18H24N8O/c1-12-16(13(2)27-23-12)10-24(3)8-14-6-15-9-25(4-5-26(15)22-14)18-7-17(19)20-11-21-18/h6-7,11H,4-5,8-10H2,1-3H3,(H2,19,20,21) | 定義日: | 2021-05-28 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | 6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine |
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![ZSG ZSG](https://data.pdbj.org/pdbjplus/data/cc/svg/ZSG.svg) | ZSG | 表記: | (8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide | 組成式: | C15 H22 N8 O | SMILES: | CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1 | InChi: | InChI=1S/C15H22N8O/c1-21(2)6-5-17-14(24)12-9-11-10-22(7-8-23(11)20-12)13-3-4-18-15(16)19-13/h3-4,9H,5-8,10H2,1-2H3,(H,17,24)(H2,16,18,19) | 定義日: | 2021-05-28 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | (8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide |
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![UXE UXE](https://data.pdbj.org/pdbjplus/data/cc/svg/UXE.svg) | UXE | 表記: | 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol | 組成式: | C30 H41 N7 O | SMILES: | CC1(C)CCN(CC1)Cc2ccc(NCC3(O)CCN(CC3)c4cc(NCc5ccccc5)ncn4)cn2 | InChi: | InChI=1S/C30H41N7O/c1-29(2)10-14-36(15-11-29)21-26-9-8-25(20-31-26)33-22-30(38)12-16-37(17-13-30)28-18-27(34-23-35-28)32-19-24-6-4-3-5-7-24/h3-9,18,20,23,33,38H,10-17,19,21-22H2,1-2H3,(H,32,34,35) | 定義日: | 2021-03-25 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | 4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol |
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![ZSM ZSM](https://data.pdbj.org/pdbjplus/data/cc/svg/ZSM.svg) | ZSM | 表記: | (1,4-phenylene)bis(methylene) dicarbamimidothioate | 組成式: | C10 H14 N4 S2 | SMILES: | N=C(N)SCc1ccc(CSC(=N)N)cc1 | InChi: | InChI=1S/C10H14N4S2/c11-9(12)15-5-7-1-2-8(4-3-7)6-16-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14) | 定義日: | 2021-05-28 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | (1,4-phenylene)bis(methylene) dicarbamimidothioate |
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![UXK UXK](https://data.pdbj.org/pdbjplus/data/cc/svg/UXK.svg) | UXK | 表記: | 6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine | 組成式: | C32 H43 N7 O | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cn2)N3CCOC4(CCN(CC4)c5cc(NCc6ccccc6)ncn5)C3 | InChi: | InChI=1S/C32H43N7O/c1-31(2)10-14-37(15-11-31)23-27-8-9-28(22-33-27)39-18-19-40-32(24-39)12-16-38(17-13-32)30-20-29(35-25-36-30)34-21-26-6-4-3-5-7-26/h3-9,20,22,25H,10-19,21,23-24H2,1-2H3,(H,34,35,36) | 定義日: | 2021-03-25 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | 6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-~{N}-(phenylmethyl)pyrimidin-4-amine |
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![ZSY ZSY](https://data.pdbj.org/pdbjplus/data/cc/svg/ZSY.svg) | ZSY | 表記: | N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide | 組成式: | C19 H17 N3 O3 | SMILES: | O=C(c1ccc(nc1O)c1ccco1)N(Cc1ccccn1)C1CC1 | InChi: | InChI=1S/C19H17N3O3/c23-18-15(8-9-16(21-18)17-5-3-11-25-17)19(24)22(14-6-7-14)12-13-4-1-2-10-20-13/h1-5,8-11,14H,6-7,12H2,(H,21,23) | 定義日: | 2021-05-28 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide |
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![UXW UXW](https://data.pdbj.org/pdbjplus/data/cc/svg/UXW.svg) | UXW | 表記: | 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | 組成式: | C32 H42 N8 O | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(CCN(CC4)c5cc(NCc6ccccc6)ncn5)C3 | InChi: | InChI=1S/C32H42N8O/c1-31(2)10-14-38(15-11-31)21-26-8-9-27(20-33-26)40-22-30(41)37-32(23-40)12-16-39(17-13-32)29-18-28(35-24-36-29)34-19-25-6-4-3-5-7-25/h3-9,18,20,24H,10-17,19,21-23H2,1-2H3,(H,37,41)(H,34,35,36) | 定義日: | 2021-03-26 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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![UYN UYN](https://data.pdbj.org/pdbjplus/data/cc/svg/UYN.svg) | UYN | 表記: | [[(2E)-2-[1-[3-[(E)-N-[[azaniumylidene(azanyl)methyl]amino]-C-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium | 組成式: | C12 H21 N9 | SMILES: | CC(=NNC(N)=[NH2+])c1cc(N)cc(c1)C(C)=NNC(N)=[NH2+] | InChi: | InChI=1S/C12H19N9/c1-6(18-20-11(14)15)8-3-9(5-10(13)4-8)7(2)19-21-12(16)17/h3-5H,13H2,1-2H3,(H4,14,15,20)(H4,16,17,21)/p+2/b18-6+,19-7+ | 別名: | BEV241 | 定義日: | 2021-03-30 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | [[(2~{E})-2-[1-[3-[(~{E})-~{N}-[[azaniumylidene(azanyl)methyl]amino]-~{C}-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium |
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![UYQ UYQ](https://data.pdbj.org/pdbjplus/data/cc/svg/UYQ.svg) | UYQ | 表記: | [[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium | 組成式: | C10 H16 N8 | SMILES: | NC(=[NH2+])NN=Cc1ccc(cc1)C=NNC(N)=[NH2+] | InChi: | InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/p+2/b15-5+,16-6+ | 定義日: | 2021-03-30 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | [[(2~{E})-2-[[4-[(~{E})-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium |
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![UYW UYW](https://data.pdbj.org/pdbjplus/data/cc/svg/UYW.svg) | UYW | 表記: | [azanyl-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium | 組成式: | C15 H16 Cl N4 O | SMILES: | NC(=[NH2+])NN=Cc1ccccc1OCc2ccc(Cl)cc2 | InChi: | InChI=1S/C15H15ClN4O/c16-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/p+1/b19-9+ | 定義日: | 2021-03-30 | 最終更新日: | 2021-08-27 | 公開日: | 2021-09-01 | 識別子(ID): | [azanyl-[(2~{E})-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium |
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