| ZQ5 | 表記: | N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide | 組成式: | C14 H21 N3 O2 S | SMILES: | O=C(N1CCN(CC1)C(=O)NCCCC)c1cccs1 | InChi: | InChI=1S/C14H21N3O2S/c1-2-3-6-15-14(19)17-9-7-16(8-10-17)13(18)12-5-4-11-20-12/h4-5,11H,2-3,6-10H2,1H3,(H,15,19) | 定義日: | 2023-03-17 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
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| ZQ9 | 表記: | 4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide | 組成式: | C15 H17 N3 O2 S2 | SMILES: | O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1cccs1 | InChi: | InChI=1S/C15H17N3O2S2/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h1-4,9-10H,5-8,11H2,(H,16,20) | 定義日: | 2023-03-17 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide |
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| U7R | 表記: | (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one | 組成式: | C22 H21 F N4 O4 S | SMILES: | FCCn1cc(nn1)c1ccc2C(=O)N(C)C=C(c3cc(ccc3OC)S(C)(=O)=O)c2c1 | InChi: | InChI=1S/C22H21FN4O4S/c1-26-12-19(18-11-15(32(3,29)30)5-7-21(18)31-2)17-10-14(4-6-16(17)22(26)28)20-13-27(9-8-23)25-24-20/h4-7,10-13H,8-9H2,1-3H3 | 定義日: | 2022-08-10 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one |
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| U93 | 表記: | (2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid | 組成式: | C17 H30 N4 O12 P2 | SMILES: | Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C=O)N[CH](CO[P](O)(O)=O)C(O)=O)c1O | InChi: | InChI=1S/C17H30N4O12P2/c1-10-15(23)14(11(6-20-10)8-32-34(26,27)28)16(19-5-3-2-4-12(18)7-22)21-13(17(24)25)9-33-35(29,30)31/h6-7,12-13,16,19,21,23H,2-5,8-9,18H2,1H3,(H,24,25)(H2,26,27,28)(H2,29,30,31)/t12-,13-,16+/m0/s1 | 定義日: | 2023-01-30 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | (2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid |
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| Y7R | 表記: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate | 組成式: | C17 H28 O2 | SMILES: | CC(=O)OCC=C(/C)CCC=C(/C)CCC=C(/C)C | InChi: | InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+ | 別名: | (2E,6E)-farnesyl acetate | 定義日: | 2023-02-22 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate |
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| Y88 | 表記: | 6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile | 組成式: | C20 H20 F3 N5 O | SMILES: | O=C(Cc1ccc(cc1)C(C)C(F)(F)F)N1CCN(CC1)c1ccc(C#N)nn1 | InChi: | InChI=1S/C20H20F3N5O/c1-14(20(21,22)23)16-4-2-15(3-5-16)12-19(29)28-10-8-27(9-11-28)18-7-6-17(13-24)25-26-18/h2-7,14H,8-12H2,1H3/t14-/m1/s1 | 定義日: | 2022-04-01 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile |
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| Y89 | 表記: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one | 組成式: | C19 H21 Cl N4 O | SMILES: | O=C(Cc1ccc(cc1)C1CC1)N1CCN(CC1)c1ccc(Cl)nn1 | InChi: | InChI=1S/C19H21ClN4O/c20-17-7-8-18(22-21-17)23-9-11-24(12-10-23)19(25)13-14-1-3-15(4-2-14)16-5-6-16/h1-4,7-8,16H,5-6,9-13H2 | 定義日: | 2022-04-01 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one |
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| Y90 | 表記: | 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile | 組成式: | C20 H20 F N5 O | SMILES: | O=C(Cc1ccc(cc1F)C1CC1)N1CCN(CC1)c1ccc(C#N)nn1 | InChi: | InChI=1S/C20H20FN5O/c21-18-11-15(14-1-2-14)3-4-16(18)12-20(27)26-9-7-25(8-10-26)19-6-5-17(13-22)23-24-19/h3-6,11,14H,1-2,7-10,12H2 | 定義日: | 2022-04-01 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile |
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| Y92 | 表記: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one | 組成式: | C19 H20 Cl F N4 O | SMILES: | O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(Cl)nn1 | InChi: | InChI=1S/C19H20ClFN4O/c20-17-5-6-18(23-22-17)24-7-9-25(10-8-24)19(26)12-13-1-4-15(14-2-3-14)16(21)11-13/h1,4-6,11,14H,2-3,7-10,12H2 | 定義日: | 2022-04-01 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one |
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| Y93 | 表記: | 1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one | 組成式: | C20 H23 Cl N4 O | SMILES: | O=C(Cc1ccc(cc1)C1CC1)N1CCN(CC1C)c1ccc(Cl)nn1 | InChi: | InChI=1S/C20H23ClN4O/c1-14-13-24(19-9-8-18(21)22-23-19)10-11-25(14)20(26)12-15-2-4-16(5-3-15)17-6-7-17/h2-5,8-9,14,17H,6-7,10-13H2,1H3/t14-/m1/s1 | 定義日: | 2022-04-01 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one |
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| Y99 | 表記: | 6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile | 組成式: | C20 H20 F3 N5 O | SMILES: | O=C(Cc1ccc(cc1)C(C)C(F)(F)F)N1CCN(CC1)c1ccc(C#N)nn1 | InChi: | InChI=1S/C20H20F3N5O/c1-14(20(21,22)23)16-4-2-15(3-5-16)12-19(29)28-10-8-27(9-11-28)18-7-6-17(13-24)25-26-18/h2-7,14H,8-12H2,1H3/t14-/m0/s1 | 定義日: | 2022-04-11 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile |
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| ZIM | 表記: | N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide | 組成式: | C16 H16 Cl N3 O3 | SMILES: | O=C(N1CCN(CC1)C(=O)Nc1ccccc1Cl)c1ccco1 | InChi: | InChI=1S/C16H16ClN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22) | 定義日: | 2023-03-13 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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| ZJ8 | 表記: | 4-(furan-2-carbonyl)-N-propylpiperazine-1-carboxamide | 組成式: | C13 H19 N3 O3 | SMILES: | O=C(N1CCN(CC1)C(=O)NCCC)c1ccco1 | InChi: | InChI=1S/C13H19N3O3/c1-2-5-14-13(18)16-8-6-15(7-9-16)12(17)11-4-3-10-19-11/h3-4,10H,2,5-9H2,1H3,(H,14,18) | 定義日: | 2023-03-14 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 4-(furan-2-carbonyl)-N-propylpiperazine-1-carboxamide |
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| ZJE | 表記: | N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide | 組成式: | C15 H21 N3 O3 S | SMILES: | O=C(N1CCN(CC1)C(=O)NCC1CCCO1)c1cccs1 | InChi: | InChI=1S/C15H21N3O3S/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h2,4,10,12H,1,3,5-9,11H2,(H,16,20)/t12-/m0/s1 | 定義日: | 2023-03-14 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
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| ZJI | 表記: | N-cyclopropyl-4-(furan-2-carbonyl)piperazine-1-carboxamide | 組成式: | C13 H17 N3 O3 | SMILES: | O=C(N1CCN(CC1)C(=O)NC1CC1)c1ccco1 | InChi: | InChI=1S/C13H17N3O3/c17-12(11-2-1-9-19-11)15-5-7-16(8-6-15)13(18)14-10-3-4-10/h1-2,9-10H,3-8H2,(H,14,18) | 定義日: | 2023-03-14 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | N-cyclopropyl-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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| ZJN | 表記: | (3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide | 組成式: | C27 H29 N5 O4 | SMILES: | O=C(N1CCN(CC1)C(=O)NNC(=O)C1Cc2ccccc2CN1Cc1ccccc1)c1ccco1 | InChi: | InChI=1S/C27H29N5O4/c33-25(28-29-27(35)31-14-12-30(13-15-31)26(34)24-11-6-16-36-24)23-17-21-9-4-5-10-22(21)19-32(23)18-20-7-2-1-3-8-20/h1-11,16,23H,12-15,17-19H2,(H,28,33)(H,29,35)/t23-/m0/s1 | 定義日: | 2023-03-14 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | (3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide |
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| YX5 | 表記: | N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide | 組成式: | C19 H22 N6 O3 S | SMILES: | O=C(Cc1ccc(NS(=O)(=O)CC)cc1)N1CCN(CC1)c1ccc(C#N)nn1 | InChi: | InChI=1S/C19H22N6O3S/c1-2-29(27,28)23-16-5-3-15(4-6-16)13-19(26)25-11-9-24(10-12-25)18-8-7-17(14-20)21-22-18/h3-8,23H,2,9-13H2,1H3 | 定義日: | 2022-03-22 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide |
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| ZJR | 表記: | 4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide | 組成式: | C13 H15 N3 O3 | SMILES: | O=C(N1CCN(CC1)C(=O)NCC#C)c1ccco1 | InChi: | InChI=1S/C13H15N3O3/c1-2-5-14-13(18)16-8-6-15(7-9-16)12(17)11-4-3-10-19-11/h1,3-4,10H,5-9H2,(H,14,18) | 定義日: | 2023-03-14 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide |
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| ZJW | 表記: | N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide | 組成式: | C17 H24 N6 O2 S | SMILES: | Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)NCCn1cnnc1CC | InChi: | InChI=1S/C17H24N6O2S/c1-3-15-20-19-12-23(15)7-6-18-17(25)22-10-8-21(9-11-22)16(24)14-5-4-13(2)26-14/h4-5,12H,3,6-11H2,1-2H3,(H,18,25) | 定義日: | 2023-03-14 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide |
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| ZK0 | 表記: | N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide | 組成式: | C21 H30 N4 O2 | SMILES: | O=C(NC(C)(C)C)N1CCN(CC1)C(=O)c1ccc2N=C(C)C(C)(C)c2c1 | InChi: | InChI=1S/C21H30N4O2/c1-14-21(5,6)16-13-15(7-8-17(16)22-14)18(26)24-9-11-25(12-10-24)19(27)23-20(2,3)4/h7-8,13H,9-12H2,1-6H3,(H,23,27) | 定義日: | 2023-03-14 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide |
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| ZK6 | 表記: | 4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide | 組成式: | C16 H17 N3 O3 | SMILES: | O=C(N1CCN(CC1)C(=O)Nc1ccccc1)c1ccco1 | InChi: | InChI=1S/C16H17N3O3/c20-15(14-7-4-12-22-14)18-8-10-19(11-9-18)16(21)17-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H,17,21) | 定義日: | 2023-03-14 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | 4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide |
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| ZKC | 表記: | tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate | 組成式: | C22 H28 N4 O5 | SMILES: | O=C(N1CCN(CC1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccco1 | InChi: | InChI=1S/C22H28N4O5/c1-22(2,3)31-21(29)24-17-7-4-6-16(14-17)15-23-20(28)26-11-9-25(10-12-26)19(27)18-8-5-13-30-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,28)(H,24,29) | 定義日: | 2023-03-14 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate |
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| ZKH | 表記: | N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide | 組成式: | C13 H19 N3 O3 S | SMILES: | O=C(N1CCN(CC1)C(=O)NCCOC)c1cccs1 | InChi: | InChI=1S/C13H19N3O3S/c1-19-9-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-10-20-11/h2-3,10H,4-9H2,1H3,(H,14,18) | 定義日: | 2023-03-14 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
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| ZKL | 表記: | (2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide | 組成式: | C15 H23 N3 O3 | SMILES: | O=C(N1CCN(C(=O)NCCCC)C(C)C1)c1ccco1 | InChi: | InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-9-8-17(11-12(18)2)14(19)13-6-5-10-21-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1 | 定義日: | 2023-03-14 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | (2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide |
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| ZKQ | 表記: | N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide | 組成式: | C16 H16 F N3 O3 | SMILES: | O=C(N1CCN(CC1)C(=O)Nc1ccccc1F)c1ccco1 | InChi: | InChI=1S/C16H16FN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22) | 定義日: | 2023-03-14 | 最終更新日: | 2023-03-24 | 公開日: | 2023-03-29 | 識別子(ID): | N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide |
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