![JFI JFI](https://data.pdbj.org/pdbjplus/data/cc/svg/JFI.svg) | JFI | 表記: | ~{N}-(2-morpholin-4-ylethyl)-4-(pyridin-4-ylmethyl)benzamide | 組成式: | C19 H23 N3 O2 | SMILES: | O=C(NCCN1CCOCC1)c2ccc(Cc3ccncc3)cc2 | InChi: | InChI=1S/C19H23N3O2/c23-19(21-9-10-22-11-13-24-14-12-22)18-3-1-16(2-4-18)15-17-5-7-20-8-6-17/h1-8H,9-15H2,(H,21,23) | 定義日: | 2022-04-26 | 最終更新日: | 2023-05-05 | 公開日: | 2023-05-10 | 識別子(ID): | ~{N}-(2-morpholin-4-ylethyl)-4-(pyridin-4-ylmethyl)benzamide |
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![JI6 JI6](https://data.pdbj.org/pdbjplus/data/cc/svg/JI6.svg) | JI6 | 表記: | (6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one | 組成式: | C11 H11 Cu N O4 | SMILES: | C[CH](O)[CH]1N=Cc2ccccc2O[Cu]OC1=O | InChi: | InChI=1S/C11H13NO4.Cu/c1-7(13)10(11(15)16)12-6-8-4-2-3-5-9(8)14 | 定義日: | 2022-08-16 | 最終更新日: | 2023-05-05 | 公開日: | 2023-05-10 | 識別子(ID): | (6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one |
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![8IJ 8IJ](https://data.pdbj.org/pdbjplus/data/cc/svg/8IJ.svg) | 8IJ | 表記: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate | 組成式: | C45 H87 O13 P | SMILES: | OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40-,41-,42+,43-,44-,45-/m1/s1 | 定義日: | 2023-04-20 | 最終更新日: | 2023-05-05 | 公開日: | 2023-05-10 | 識別子(ID): | (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate |
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![Y43 Y43](https://data.pdbj.org/pdbjplus/data/cc/svg/Y43.svg) | Y43 | 表記: | 2'-deoxyinosine 5'-triphosphate | 組成式: | C10 H15 N4 O13 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(CC1O)n1cnc2c1NC=NC2=O | InChi: | InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1 | 定義日: | 2023-01-03 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | 2'-deoxyinosine 5'-(tetrahydrogen triphosphate) |
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![ZU6 ZU6](https://data.pdbj.org/pdbjplus/data/cc/svg/ZU6.svg) | ZU6 | 表記: | 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid | 組成式: | C14 H15 N3 O4 | SMILES: | O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NC | InChi: | InChI=1S/C14H15N3O4/c1-15-12(18)8-17-11(6-7-13(19)20)16-10-5-3-2-4-9(10)14(17)21/h2-5H,6-8H2,1H3,(H,15,18)(H,19,20) | 定義日: | 2023-04-03 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid |
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![ZU9 ZU9](https://data.pdbj.org/pdbjplus/data/cc/svg/ZU9.svg) | ZU9 | 表記: | 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid | 組成式: | C20 H19 N3 O4 | SMILES: | O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NCc1ccccc1 | InChi: | InChI=1S/C20H19N3O4/c24-18(21-12-14-6-2-1-3-7-14)13-23-17(10-11-19(25)26)22-16-9-5-4-8-15(16)20(23)27/h1-9H,10-13H2,(H,21,24)(H,25,26) | 定義日: | 2023-04-03 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid |
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![V58 V58](https://data.pdbj.org/pdbjplus/data/cc/svg/V58.svg) | V58 | 表記: | phenyl 2-[[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-phenyl]amino]-4-(1H-indol-3-yl)pyrimidine-5-carboxylate | 組成式: | C33 H34 N6 O3 | SMILES: | COc1cc(ccc1Nc2ncc(C(=O)Oc3ccccc3)c(n2)c4c[nH]c5ccccc45)N6CCC(CC6)N(C)C | InChi: | InChI=1S/C33H34N6O3/c1-38(2)22-15-17-39(18-16-22)23-13-14-29(30(19-23)41-3)36-33-35-21-27(32(40)42-24-9-5-4-6-10-24)31(37-33)26-20-34-28-12-8-7-11-25(26)28/h4-14,19-22,34H,15-18H2,1-3H3,(H,35,36,37) | 定義日: | 2021-04-14 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | phenyl 2-[[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-phenyl]amino]-4-(1~{H}-indol-3-yl)pyrimidine-5-carboxylate |
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![VMB VMB](https://data.pdbj.org/pdbjplus/data/cc/svg/VMB.svg) | VMB | 表記: | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide | 組成式: | C25 H20 F6 N2 O2 | SMILES: | O=C(NC(c1cccc(c1)C(F)(F)F)C(=O)N(C)C)c1ccccc1c1ccc(cc1)C(F)(F)F | InChi: | InChI=1S/C25H20F6N2O2/c1-33(2)23(35)21(16-6-5-7-18(14-16)25(29,30)31)32-22(34)20-9-4-3-8-19(20)15-10-12-17(13-11-15)24(26,27)28/h3-14,21H,1-2H3,(H,32,34)/t21-/m0/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide |
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![VMH VMH](https://data.pdbj.org/pdbjplus/data/cc/svg/VMH.svg) | VMH | 表記: | (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide | 組成式: | C29 H24 F6 N4 O2 | SMILES: | Cn1nccc1c1cc(C(=O)NC(c2cccc(c2)C(F)(F)F)C(=O)N(C)C)c(cc1)c1ccc(cc1)C(F)(F)F | InChi: | InChI=1S/C29H24F6N4O2/c1-38(2)27(41)25(19-5-4-6-21(15-19)29(33,34)35)37-26(40)23-16-18(24-13-14-36-39(24)3)9-12-22(23)17-7-10-20(11-8-17)28(30,31)32/h4-16,25H,1-3H3,(H,37,40)/t25-/m0/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide |
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![VML VML](https://data.pdbj.org/pdbjplus/data/cc/svg/VML.svg) | VML | 表記: | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide | 組成式: | C24 H19 F6 N3 O2 | SMILES: | O=C(NC(c1cccc(c1)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F | InChi: | InChI=1S/C24H19F6N3O2/c1-33(2)22(35)20(15-4-3-5-17(12-15)24(28,29)30)32-21(34)19-13-31-11-10-18(19)14-6-8-16(9-7-14)23(25,26)27/h3-13,20H,1-2H3,(H,32,34)/t20-/m0/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
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![VMQ VMQ](https://data.pdbj.org/pdbjplus/data/cc/svg/VMQ.svg) | VMQ | 表記: | N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide | 組成式: | C25 H18 F9 N3 O2 | SMILES: | O=C(NC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F | InChi: | InChI=1S/C25H18F9N3O2/c1-37(2)22(39)20(14-9-16(24(29,30)31)11-17(10-14)25(32,33)34)36-21(38)19-12-35-8-7-18(19)13-3-5-15(6-4-13)23(26,27)28/h3-12,20H,1-2H3,(H,36,38)/t20-/m0/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
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![VMW VMW](https://data.pdbj.org/pdbjplus/data/cc/svg/VMW.svg) | VMW | 表記: | N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide | 組成式: | C25 H21 F6 N3 O2 | SMILES: | O=C(NC(c1cc(C)cc(c1)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F | InChi: | InChI=1S/C25H21F6N3O2/c1-14-10-16(12-18(11-14)25(29,30)31)21(23(36)34(2)3)33-22(35)20-13-32-9-8-19(20)15-4-6-17(7-5-15)24(26,27)28/h4-13,21H,1-3H3,(H,33,35)/t21-/m0/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
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![VN2 VN2](https://data.pdbj.org/pdbjplus/data/cc/svg/VN2.svg) | VN2 | 表記: | N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide | 組成式: | C34 H21 F9 N4 O2 | SMILES: | O=C(Nc1cnccc1c1ccc(cc1)C(F)(F)F)C(NC(=O)c1cnccc1c1ccc(cc1)C(F)(F)F)c1cccc(c1)C(F)(F)F | InChi: | InChI=1S/C34H21F9N4O2/c35-32(36,37)22-8-4-19(5-9-22)25-12-14-44-17-27(25)30(48)47-29(21-2-1-3-24(16-21)34(41,42)43)31(49)46-28-18-45-15-13-26(28)20-6-10-23(11-7-20)33(38,39)40/h1-18,29H,(H,46,49)(H,47,48)/t29-/m0/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
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![VN8 VN8](https://data.pdbj.org/pdbjplus/data/cc/svg/VN8.svg) | VN8 | 表記: | (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione | 組成式: | C23 H25 Cl2 N3 O2 | SMILES: | Clc1cc(cc(Cl)c1)CN1CCC2N(C)C(=O)C(Cc3ccccc3)N(C)C(=O)C21 | InChi: | InChI=1S/C23H25Cl2N3O2/c1-26-19-8-9-28(14-16-10-17(24)13-18(25)11-16)21(19)23(30)27(2)20(22(26)29)12-15-6-4-3-5-7-15/h3-7,10-11,13,19-21H,8-9,12,14H2,1-2H3/t19-,20+,21+/m1/s1 | 定義日: | 2022-09-02 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione |
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![GIH GIH](https://data.pdbj.org/pdbjplus/data/cc/svg/GIH.svg) | GIH | 表記: | (2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid | 組成式: | C22 H25 F N5 O5 P | SMILES: | CO[P](=O)(OC)c1cnc(N[CH]2C3CCC(CC3)[CH]2C(O)=O)nc1c4c[nH]c5ncc(F)cc45 | InChi: | InChI=1S/C22H25FN5O5P/c1-32-34(31,33-2)16-10-26-22(27-18-12-5-3-11(4-6-12)17(18)21(29)30)28-19(16)15-9-25-20-14(15)7-13(23)8-24-20/h7-12,17-18H,3-6H2,1-2H3,(H,24,25)(H,29,30)(H,26,27,28)/t11-,12+,17-,18-/m0/s1 | 定義日: | 2022-05-10 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | (2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid |
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![U99 U99](https://data.pdbj.org/pdbjplus/data/cc/svg/U99.svg) | U99 | 表記: | methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(methoxymethoxy)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-naphtho[2,1-c]pyran-7-carboxylate | 組成式: | C23 H30 O8 | SMILES: | O=C(OC)C1CC(OCOC)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)c1ccoc1 | InChi: | InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1 | 定義日: | 2022-08-11 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(methoxymethoxy)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-naphtho[2,1-c]pyran-7-carboxylate |
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![U9I U9I](https://data.pdbj.org/pdbjplus/data/cc/svg/U9I.svg) | U9I | 表記: | methyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-[(pyrrolidin-1-yl)methyl]piperazine-1-carboxylate | 組成式: | C19 H25 Cl2 N3 O3 | SMILES: | Clc1ccc(cc1Cl)CC(=O)N1CCN(CC1CN1CCCC1)C(=O)OC | InChi: | InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3/t15-/m1/s1 | 定義日: | 2022-08-11 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | methyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-[(pyrrolidin-1-yl)methyl]piperazine-1-carboxylate |
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![KTF KTF](https://data.pdbj.org/pdbjplus/data/cc/svg/KTF.svg) | KTF | 表記: | (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile | 組成式: | C24 H25 N5 O2 | SMILES: | N#CC1CCN(C1)C(=O)c1cnn2C(=O)C=C(Nc12)c1ccc(cc1)C1CCCCC1 | InChi: | InChI=1S/C24H25N5O2/c25-13-16-10-11-28(15-16)24(31)20-14-26-29-22(30)12-21(27-23(20)29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h6-9,12,14,16-17,27H,1-5,10-11,15H2/t16-/m0/s1 | 定義日: | 2022-02-15 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile |
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![KUI KUI](https://data.pdbj.org/pdbjplus/data/cc/svg/KUI.svg) | KUI | 表記: | ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate | 組成式: | C16 H12 F3 N3 O3 | SMILES: | FC(F)(F)c1ccc(cc1)C1=CC(=O)n2ncc(c2N1)C(=O)OCC | InChi: | InChI=1S/C16H12F3N3O3/c1-2-25-15(24)11-8-20-22-13(23)7-12(21-14(11)22)9-3-5-10(6-4-9)16(17,18)19/h3-8,21H,2H2,1H3 | 定義日: | 2022-02-15 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate |
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![KUR KUR](https://data.pdbj.org/pdbjplus/data/cc/svg/KUR.svg) | KUR | 表記: | (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one | 組成式: | C28 H29 F N6 O2 | SMILES: | FCC1CN(C1)C(=O)c1c2NC(=CC(=O)n2nc1c1nccnc1C)c1ccc(cc1)C1CCCCC1 | InChi: | InChI=1S/C28H29FN6O2/c1-17-25(31-12-11-30-17)26-24(28(37)34-15-18(14-29)16-34)27-32-22(13-23(36)35(27)33-26)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-13,18-19,32H,2-6,14-16H2,1H3 | 定義日: | 2022-02-15 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one |
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![4IS 4IS](https://data.pdbj.org/pdbjplus/data/cc/svg/4IS.svg) | 4IS | 表記: | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole | 組成式: | C10 H9 F2 N | SMILES: | Fc1ccc(F)c(c1)C2=NCCC2 | InChi: | InChI=1S/C10H9F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6H,1-2,5H2 | 定義日: | 2021-07-29 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole |
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![OD6 OD6](https://data.pdbj.org/pdbjplus/data/cc/svg/OD6.svg) | OD6 | 表記: | 4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine | 組成式: | C16 H14 N2 Se | SMILES: | Nc1[se]cc(n1)c2ccc(Cc3ccccc3)cc2 | InChi: | InChI=1S/C16H14N2Se/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18) | 別名: | 4-(4-Benzylphenyl)-selenazol-2-amine | 定義日: | 2022-09-05 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | 4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine |
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![83F 83F](https://data.pdbj.org/pdbjplus/data/cc/svg/83F.svg) | 83F | 表記: | tert-butyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate | 組成式: | C23 H40 N4 O6 | SMILES: | CC(C)[CH](NC(=O)OC(C)(C)C)C(=O)N1C[CH](C)C[CH]1C(=O)N[CH](CO)C[CH]2CCNC2=O | InChi: | InChI=1S/C23H40N4O6/c1-13(2)18(26-22(32)33-23(4,5)6)21(31)27-11-14(3)9-17(27)20(30)25-16(12-28)10-15-7-8-24-19(15)29/h13-18,28H,7-12H2,1-6H3,(H,24,29)(H,25,30)(H,26,32)/t14-,15-,16-,17-,18-/m0/s1 | 別名: | tert-butyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate | 定義日: | 2021-09-30 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | ~{tert}-butyl ~{N}-[(2~{S})-3-methyl-1-[(2~{S},4~{S})-4-methyl-2-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate |
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![83N 83N](https://data.pdbj.org/pdbjplus/data/cc/svg/83N.svg) | 83N | 表記: | tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate | 組成式: | C23 H40 N4 O7 | SMILES: | CO[CH]1C[CH](N(C1)C(=O)[CH](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O | InChi: | InChI=1S/C23H40N4O7/c1-13(2)18(26-22(32)34-23(3,4)5)21(31)27-11-16(33-6)10-17(27)20(30)25-15(12-28)9-14-7-8-24-19(14)29/h13-18,28H,7-12H2,1-6H3,(H,24,29)(H,25,30)(H,26,32)/t14-,15-,16-,17-,18-/m0/s1 | 別名: | tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate | 定義日: | 2021-09-30 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | ~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{S})-4-methoxy-2-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate |
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![83W 83W](https://data.pdbj.org/pdbjplus/data/cc/svg/83W.svg) | 83W | 表記: | tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate | 組成式: | C25 H44 N4 O7 | SMILES: | C[CH](OC(C)(C)C)[CH](NC(=O)OC(C)(C)C)C(=O)N1CCC[CH]1C(=O)N[CH](CO)C[CH]2CCNC2=O | InChi: | InChI=1S/C25H44N4O7/c1-15(35-24(2,3)4)19(28-23(34)36-25(5,6)7)22(33)29-12-8-9-18(29)21(32)27-17(14-30)13-16-10-11-26-20(16)31/h15-19,30H,8-14H2,1-7H3,(H,26,31)(H,27,32)(H,28,34)/t15-,16+,17+,18+,19+/m1/s1 | 別名: | tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate | 定義日: | 2021-09-30 | 最終更新日: | 2023-04-28 | 公開日: | 2023-05-03 | 識別子(ID): | ~{tert}-butyl ~{N}-[(2~{S},3~{R})-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2~{S})-2-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate |
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