![JA9 JA9](https://data.pdbj.org/pdbjplus/data/cc/svg/JA9.svg) | JA9 | 表記: | 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole | 組成式: | C14 H9 Cl3 N2 O S | SMILES: | CSc1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2n1 | InChi: | InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19) | 別名: | Triclabendazole | 定義日: | 2021-05-07 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1~{H}-benzimidazole |
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![JAL JAL](https://data.pdbj.org/pdbjplus/data/cc/svg/JAL.svg) | JAL | 表記: | 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol | 組成式: | C13 H10 Cl2 O2 | SMILES: | Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O | InChi: | InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2 | 別名: | Dichlorophen | 定義日: | 2021-05-07 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol |
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![7IH 7IH](https://data.pdbj.org/pdbjplus/data/cc/svg/7IH.svg) | 7IH | 表記: | N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide | 組成式: | C18 H21 N5 O2 | SMILES: | CC(C)C1CNC(=O)c2cc(nn12)c1ccnc(NC(=O)C2CC2)c1 | InChi: | InChI=1S/C18H21N5O2/c1-10(2)15-9-20-18(25)14-8-13(22-23(14)15)12-5-6-19-16(7-12)21-17(24)11-3-4-11/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,20,25)(H,19,21,24)/t15-/m0/s1 | 定義日: | 2021-08-12 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide |
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![7IK 7IK](https://data.pdbj.org/pdbjplus/data/cc/svg/7IK.svg) | 7IK | 表記: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one | 組成式: | C14 H22 N4 O2 | SMILES: | CC(C)C1CNC(=O)c2cc(nn21)N1CCOCC1C | InChi: | InChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12+/m1/s1 | 定義日: | 2021-08-12 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one |
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![7IQ 7IQ](https://data.pdbj.org/pdbjplus/data/cc/svg/7IQ.svg) | 7IQ | 表記: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one | 組成式: | C14 H20 N4 O2 | SMILES: | O=C1NC2CCCC2n2nc(cc21)N1CCOCC1C | InChi: | InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1 | 定義日: | 2021-08-12 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one |
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![H60 H60](https://data.pdbj.org/pdbjplus/data/cc/svg/H60.svg) | H60 | 表記: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide | 組成式: | C23 H31 N3 O4 | SMILES: | CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O | InChi: | InChI=1S/C23H31N3O4/c1-2-3-11-20(26-21(28)13-12-17-8-5-4-6-9-17)23(30)25-19(16-27)15-18-10-7-14-24-22(18)29/h4-6,8-9,12-13,16,18-20H,2-3,7,10-11,14-15H2,1H3,(H,24,29)(H,25,30)(H,26,28)/b13-12+/t18-,19-,20-/m0/s1 | 定義日: | 2020-11-17 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide |
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![H63 H63](https://data.pdbj.org/pdbjplus/data/cc/svg/H63.svg) | H63 | 表記: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide | 組成式: | C22 H29 N3 O4 | SMILES: | CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O | InChi: | InChI=1S/C22H29N3O4/c1-2-3-9-19(25-20(27)11-10-16-7-5-4-6-8-16)22(29)24-18(15-26)14-17-12-13-23-21(17)28/h4-8,10-11,15,17-19H,2-3,9,12-14H2,1H3,(H,23,28)(H,24,29)(H,25,27)/b11-10+/t17-,18-,19-/m0/s1 | 定義日: | 2020-11-17 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide |
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![H6F H6F](https://data.pdbj.org/pdbjplus/data/cc/svg/H6F.svg) | H6F | 表記: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide | 組成式: | C30 H40 N4 O5 | SMILES: | CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)N[CH](C[CH]3CCCNC3=O)C=O | InChi: | InChI=1S/C30H40N4O5/c1-18(2)14-25(29(38)32-24(17-35)16-22-10-7-13-31-27(22)36)33-30(39)26(19(3)4)34-28(37)23-12-11-20-8-5-6-9-21(20)15-23/h5-6,8-9,11-12,15,17-19,22,24-26H,7,10,13-14,16H2,1-4H3,(H,31,36)(H,32,38)(H,33,39)(H,34,37)/t22-,24-,25-,26-/m0/s1 | 定義日: | 2020-11-18 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide |
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![H6L H6L](https://data.pdbj.org/pdbjplus/data/cc/svg/H6L.svg) | H6L | 表記: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide | 組成式: | C26 H37 N5 O7 | SMILES: | CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc(cc1)[N+]([O-])=O)C(C)C)C(=O)N[CH](C[CH]2CCCNC2=O)C=O | InChi: | InChI=1S/C26H37N5O7/c1-15(2)12-21(25(35)28-19(14-32)13-18-6-5-11-27-23(18)33)29-26(36)22(16(3)4)30-24(34)17-7-9-20(10-8-17)31(37)38/h7-10,14-16,18-19,21-22H,5-6,11-13H2,1-4H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t18-,19-,21-,22-/m0/s1 | 定義日: | 2020-11-19 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide |
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![H6R H6R](https://data.pdbj.org/pdbjplus/data/cc/svg/H6R.svg) | H6R | 表記: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide | 組成式: | C21 H23 N3 O4 | SMILES: | O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC#C)NC(=O)C=Cc2ccccc2 | InChi: | InChI=1S/C21H23N3O4/c1-2-6-18(24-19(26)10-9-15-7-4-3-5-8-15)21(28)23-17(14-25)13-16-11-12-22-20(16)27/h1,3-5,7-10,14,16-18H,6,11-13H2,(H,22,27)(H,23,28)(H,24,26)/b10-9+/t16-,17-,18-/m0/s1 | 定義日: | 2020-11-19 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide |
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![7OT 7OT](https://data.pdbj.org/pdbjplus/data/cc/svg/7OT.svg) | 7OT | 表記: | SPHEROIDENE | 組成式: | C41 H60 O | SMILES: | COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C | InChi: | InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+ | 別名: | (6E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene | 定義日: | 2021-08-13 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | (6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene |
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![7PW 7PW](https://data.pdbj.org/pdbjplus/data/cc/svg/7PW.svg) | 7PW | 表記: | N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide | 組成式: | C32 H22 F3 N5 O2 | SMILES: | Fc1ccc(cc1)c1cc(F)c(c(F)c1)C(Cn1ccnc1)NC(=O)c1ccc(cc1)c1nnc(o1)c1ccccc1 | InChi: | InChI=1S/C32H22F3N5O2/c33-25-12-10-20(11-13-25)24-16-26(34)29(27(35)17-24)28(18-40-15-14-36-19-40)37-30(41)21-6-8-23(9-7-21)32-39-38-31(42-32)22-4-2-1-3-5-22/h1-17,19,28H,18H2,(H,37,41)/t28-/m0/s1 | 定義日: | 2021-08-17 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide |
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![7UK 7UK](https://data.pdbj.org/pdbjplus/data/cc/svg/7UK.svg) | 7UK | 表記: | (R)-4-hydroxy-2-pyrrolidone | 組成式: | C4 H7 N O2 | SMILES: | O[CH]1CNC(=O)C1 | InChi: | InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1 | 別名: | (4R)-4-oxidanylpyrrolidin-2-one | 定義日: | 2021-09-01 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | (4~{R})-4-oxidanylpyrrolidin-2-one |
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![H80 H80](https://data.pdbj.org/pdbjplus/data/cc/svg/H80.svg) | H80 | 表記: | [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | 組成式: | C21 H24 N2 O3 S | SMILES: | COc1ccc2nc3c(CO)cc(OC)cc3c(SC[CH]4CCNC4)c2c1 | InChi: | InChI=1S/C21H24N2O3S/c1-25-15-3-4-19-17(8-15)21(27-12-13-5-6-22-10-13)18-9-16(26-2)7-14(11-24)20(18)23-19/h3-4,7-9,13,22,24H,5-6,10-12H2,1-2H3/t13-/m0/s1 | 定義日: | 2020-11-24 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | [2,7-dimethoxy-9-[[(3~{S})-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol |
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![H8U H8U](https://data.pdbj.org/pdbjplus/data/cc/svg/H8U.svg) | H8U | 表記: | Paraherquamide A | 組成式: | C28 H35 N3 O5 | SMILES: | CN1C(=O)[C]23C[CH]4C(C)(C)[C]5(C[C]14CN2CC[C]3(C)O)C(=O)Nc6c7OC=CC(C)(C)Oc7ccc56 | InChi: | InChI=1S/C28H35N3O5/c1-23(2)10-12-35-20-17(36-23)8-7-16-19(20)29-21(32)27(16)14-26-15-31-11-9-25(5,34)28(31,22(33)30(26)6)13-18(26)24(27,3)4/h7-8,10,12,18,34H,9,11,13-15H2,1-6H3,(H,29,32)/t18-,25+,26+,27+,28-/m0/s1 | 定義日: | 2020-11-27 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 |
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![HFX HFX](https://data.pdbj.org/pdbjplus/data/cc/svg/HFX.svg) | HFX | 表記: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one | 組成式: | C9 H9 Cl O2 S2 | SMILES: | C[S](=O)c1sc(Cl)c2CCCC(=O)c12 | InChi: | InChI=1S/C9H9ClO2S2/c1-14(12)9-7-5(8(10)13-9)3-2-4-6(7)11/h2-4H2,1H3/t14-/m0/s1 | 定義日: | 2021-01-06 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5~{H}-2-benzothiophen-4-one |
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![TV8 TV8](https://data.pdbj.org/pdbjplus/data/cc/svg/TV8.svg) | TV8 | 表記: | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol | 組成式: | C12 H17 N5 O4 | SMILES: | CNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3OC | InChi: | InChI=1S/C12H17N5O4/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8+,9-,12-/m1/s1 | 定義日: | 2021-01-13 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol |
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![UKM UKM](https://data.pdbj.org/pdbjplus/data/cc/svg/UKM.svg) | UKM | 表記: | (1R)-1-hydroxybutane-1-sulfonic acid | 組成式: | C4 H10 O4 S | SMILES: | C(CCC)(O)S(=O)(O)=O | InChi: | InChI=1S/C4H10O4S/c1-2-3-4(5)9(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)/t4-/m1/s1 | 定義日: | 2020-05-20 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | (1R)-1-hydroxybutane-1-sulfonic acid |
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![UOM UOM](https://data.pdbj.org/pdbjplus/data/cc/svg/UOM.svg) | UOM | 表記: | 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile | 組成式: | C21 H24 N4 O | SMILES: | CC(C)c1ccc(cc1)CC(=O)N3CCN(c2ccc(cn2)C#N)CC3 | InChi: | InChI=1S/C21H24N4O/c1-16(2)19-6-3-17(4-7-19)13-21(26)25-11-9-24(10-12-25)20-8-5-18(14-22)15-23-20/h3-8,15-16H,9-13H2,1-2H3 | 定義日: | 2020-05-26 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile |
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![UOP UOP](https://data.pdbj.org/pdbjplus/data/cc/svg/UOP.svg) | UOP | 表記: | 4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide | 組成式: | C19 H20 N6 O | SMILES: | CC(C)c1ccc(cc1)NC(=O)N3C=CN(c2ccc(nn2)C#N)CC3 | InChi: | InChI=1S/C19H20N6O/c1-14(2)15-3-5-16(6-4-15)21-19(26)25-11-9-24(10-12-25)18-8-7-17(13-20)22-23-18/h3-9,11,14H,10,12H2,1-2H3,(H,21,26) | 定義日: | 2020-05-26 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | 4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide |
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![UOS UOS](https://data.pdbj.org/pdbjplus/data/cc/svg/UOS.svg) | UOS | 表記: | 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one | 組成式: | C19 H23 Cl N4 O | SMILES: | c1(cnc(cn1)N3CCN(C(Cc2ccc(cc2)C(C)C)=O)CC3)Cl | InChi: | InChI=1S/C19H23ClN4O/c1-14(2)16-5-3-15(4-6-16)11-19(25)24-9-7-23(8-10-24)18-13-21-17(20)12-22-18/h3-6,12-14H,7-11H2,1-2H3 | 定義日: | 2020-05-26 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one |
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![RWH RWH](https://data.pdbj.org/pdbjplus/data/cc/svg/RWH.svg) | RWH | 表記: | 3-(3-methyl-3-phenethylureido)benzenesulfonamide | 組成式: | C16 H19 N3 O3 S | SMILES: | CN(CCc1ccccc1)C(=O)Nc2cccc(c2)[S](N)(=O)=O | InChi: | InChI=1S/C16H19N3O3S/c1-19(11-10-13-6-3-2-4-7-13)16(20)18-14-8-5-9-15(12-14)23(17,21)22/h2-9,12H,10-11H2,1H3,(H,18,20)(H2,17,21,22) | 別名: | 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea | 定義日: | 2020-10-27 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea |
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![S8W S8W](https://data.pdbj.org/pdbjplus/data/cc/svg/S8W.svg) | S8W | 表記: | ~{N}-[2-[(1~{R},2~{R})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide | 組成式: | C22 H24 N8 O | SMILES: | CC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)ccc1[CH]5C[CH]5CN | InChi: | InChI=1S/C22H24N8O/c1-12(31)26-19-7-16(4-5-17(19)18-6-13(18)9-23)27-20-8-21(28-15-2-3-15)30-22(29-20)14(10-24)11-25-30/h4-5,7-8,11,13,15,18,28H,2-3,6,9,23H2,1H3,(H,26,31)(H,27,29)/t13-,18+/m0/s1 | 定義日: | 2020-11-11 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | ~{N}-[2-[(1~{R},2~{R})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide |
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![S92 S92](https://data.pdbj.org/pdbjplus/data/cc/svg/S92.svg) | S92 | 表記: | 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | 組成式: | C24 H26 N10 O | SMILES: | O=C1NC=C(C=C1)c2n(CCN3CCCCC3)nnc2c4cc(NC5CC5)n6ncc(C#N)c6n4 | InChi: | InChI=1S/C24H26N10O/c25-13-17-15-27-34-20(28-18-5-6-18)12-19(29-24(17)34)22-23(16-4-7-21(35)26-14-16)33(31-30-22)11-10-32-8-2-1-3-9-32/h4,7,12,14-15,18,28H,1-3,5-6,8-11H2,(H,26,35) | 定義日: | 2020-11-11 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | 7-(cyclopropylamino)-5-[5-(6-oxidanylidene-1~{H}-pyridin-3-yl)-1-(2-piperidin-1-ylethyl)-1,2,3-triazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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![S95 S95](https://data.pdbj.org/pdbjplus/data/cc/svg/S95.svg) | S95 | 表記: | isoquinoline-5-sulfonic acid | 組成式: | C9 H7 N O3 S | SMILES: | O[S](=O)(=O)c1cccc2cnccc12 | InChi: | InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13) | 定義日: | 2020-11-12 | 最終更新日: | 2021-11-19 | 公開日: | 2021-11-24 | 識別子(ID): | isoquinoline-5-sulfonic acid |
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