 | A1AZA | 表記: | 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one | 組成式: | C21 H20 F2 N4 O2 | SMILES: | Fc1cc(ccc1CC(=O)N1CCN(CC1)c1nc2ncc(F)cc2o1)C1CC1 | InChi: | InChI=1S/C21H20F2N4O2/c22-16-11-18-20(24-12-16)25-21(29-18)27-7-5-26(6-8-27)19(28)10-15-4-3-14(9-17(15)23)13-1-2-13/h3-4,9,11-13H,1-2,5-8,10H2 | 定義日: | 2024-07-12 | 最終更新日: | 2025-07-11 | 公開日: | 2025-07-16 | 識別子(ID): | 2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one |
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 | A1BMF | 表記: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol | 組成式: | C15 H26 S | SMILES: | C/C(C)=CCCC(C)=CCCC(C)=CCS | InChi: | InChI=1S/C15H26S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+ | 定義日: | 2024-12-20 | 最終更新日: | 2025-07-11 | 公開日: | 2025-07-16 | 識別子(ID): | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol |
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 | P32 | 表記: | Cyanopindolol | 組成式: | C16 H21 N3 O2 | SMILES: | N#CC2=Nc1cccc(OCC(O)CNC(C)(C)C)c1C2 | InChi: | InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-6,12,18,20H,7,9-10H2,1-3H3/t12-/m0/s1 | 別名: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile | 定義日: | 2008-05-09 | 最終更新日: | 2025-07-10 | 識別子(ID): | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile |
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 | AS | 表記: | 2-DEOXY-ADENOSINE -5'-THIO-MONOPHOSPHATE | 組成式: | C10 H14 N5 O5 P S | SMILES: | S=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O | InChi: | InChI=1S/C10H14N5O5PS/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(20-7)2-19-21(17,18)22/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,22)/t5-,6+,7+/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2025-07-09 | 識別子(ID): | 2'-deoxy-5'-O-thiophosphonoadenosine |
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 | NFA | 表記: | PHENYLALANINE AMIDE | 組成式: | C9 H12 N2 O | SMILES: | O=C(N)C(N)Cc1ccccc1 | InChi: | InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2025-07-07 | 識別子(ID): | L-phenylalaninamide |
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 | A1CBI | 表記: | 1-[5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,3-dihydroindol-1-yl]ethanone | 組成式: | C10 H10 N2 O3 | SMILES: | [O-][N+](=O)c1cc2CCN(c2cc1)C(C)=O | InChi: | InChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H3 | 定義日: | 2025-05-07 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | 1-(5-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one |
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 | A1CBJ | 表記: | 1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine | 組成式: | C13 H21 N3 | SMILES: | CC(C)N1CCN(Cc2ccccn2)CC1 | InChi: | InChI=1S/C13H21N3/c1-12(2)16-9-7-15(8-10-16)11-13-5-3-4-6-14-13/h3-6,12H,7-11H2,1-2H3 | 定義日: | 2025-05-07 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | 1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine |
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 | A1CBL | 表記: | 1-[(2-fluorophenyl)methyl]-4-(propan-2-yl)piperazine | 組成式: | C14 H21 F N2 | SMILES: | CC(C)N1CCN(Cc2ccccc2F)CC1 | InChi: | InChI=1S/C14H21FN2/c1-12(2)17-9-7-16(8-10-17)11-13-5-3-4-6-14(13)15/h3-6,12H,7-11H2,1-2H3 | 定義日: | 2025-05-07 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | 1-[(2-fluorophenyl)methyl]-4-(propan-2-yl)piperazine |
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 | A1CBM | 表記: | 2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol | 組成式: | C9 H11 N3 O | SMILES: | Nc1cc2ncn(CCO)c2cc1 | InChi: | InChI=1S/C9H11N3O/c10-7-1-2-9-8(5-7)11-6-12(9)3-4-13/h1-2,5-6,13H,3-4,10H2 | 定義日: | 2025-05-07 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | 2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol |
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 | MI7 | 表記: | 7-METHOXY-1H-INDAZOLE | 組成式: | C8 H8 N2 O | SMILES: | n2cc1cccc(OC)c1n2 | InChi: | InChI=1S/C8H8N2O/c1-11-7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10) | 定義日: | 2005-10-17 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | 7-methoxy-1H-indazole |
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 | A1EL9 | 表記: | (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]butanoic acid | 組成式: | C33 H46 N2 O5 | SMILES: | CC[CH](NC(=O)N[C]1(C)CC[C]2(C)CC[C]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C]4(C)CC[C]3(C)[CH]2C1)C)C(O)=O | InChi: | InChI=1S/C33H46N2O5/c1-8-22(27(38)39)34-28(40)35-30(4)13-11-29(3)12-15-32(6)24-10-9-20-19(2)26(37)23(36)17-21(20)31(24,5)14-16-33(32,7)25(29)18-30/h9-10,17,22,25,37H,8,11-16,18H2,1-7H3,(H,38,39)(H2,34,35,40)/t22?,25?,29-,30-,31+,32-,33+/m1/s1 | 定義日: | 2025-02-18 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]butanoic acid |
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 | A1EOR | 表記: | (2~{R},4~{S})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | 組成式: | C16 H21 N3 O6 S | SMILES: | CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2ccc(O)cc2)C(O)=O | InChi: | InChI=1S/C16H21N3O6S/c1-16(2)11(15(24)25)19-13(26-16)10(14(22)23)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,13,19-20H,17H2,1-2H3,(H,18,21)(H,22,23)(H,24,25)/t9-,10+,11+,13-/m1/s1 | 別名: | Amoxicilloic acid | 定義日: | 2025-04-04 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | (2~{R},4~{S})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | A1I56 | 表記: | 5-[[(3-methoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 組成式: | C12 H11 N3 O3 S | SMILES: | COc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1 | InChi: | InChI=1S/C12H11N3O3S/c1-18-8-4-2-3-7(5-8)13-6-9-10(16)14-12(19)15-11(9)17/h2-6,13H,1H3,(H2,14,15,16,17,19) | 定義日: | 2025-03-13 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | 5-[[(3-methoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
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 | A1I5U | 表記: | 6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one | 組成式: | C5 H4 N4 O S | SMILES: | O=C1NC(=S)Nc2[nH]ncc12 | InChi: | InChI=1S/C5H4N4OS/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11) | 定義日: | 2025-03-11 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | 6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one |
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 | A1IGE | 表記: | (3~{a}~{S})-1-(2-methoxypyridin-4-yl)-6,7-dimethyl-3~{a}-oxidanyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one | 組成式: | C19 H19 N3 O3 | SMILES: | COc1cc(ccn1)N2CC[C]3(O)C(=O)c4cc(C)c(C)cc4N=C23 | InChi: | InChI=1S/C19H19N3O3/c1-11-8-14-15(9-12(11)2)21-18-19(24,17(14)23)5-7-22(18)13-4-6-20-16(10-13)25-3/h4,6,8-10,24H,5,7H2,1-3H3/t19-/m1/s1 | 定義日: | 2024-06-27 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | (3~{a}~{S})-1-(2-methoxypyridin-4-yl)-6,7-dimethyl-3~{a}-oxidanyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one |
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 | A1IGF | 表記: | 1-(3-bromanyl-4-methyl-phenyl)-2-(4-methylphenyl)imidazole | 組成式: | C17 H15 Br N2 | SMILES: | Cc1ccc(cc1)c2nccn2c3ccc(C)c(Br)c3 | InChi: | InChI=1S/C17H15BrN2/c1-12-3-6-14(7-4-12)17-19-9-10-20(17)15-8-5-13(2)16(18)11-15/h3-11H,1-2H3 | 定義日: | 2024-06-28 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | 1-(3-bromanyl-4-methyl-phenyl)-2-(4-methylphenyl)imidazole |
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 | A1IGQ | 表記: | (4R)-4-phenyl-1,2-thiazolidine 1,1-dioxide | 組成式: | C9 H11 N O2 S | SMILES: | O=[S]1(=O)C[CH](CN1)c2ccccc2 | InChi: | InChI=1S/C9H11NO2S/c11-13(12)7-9(6-10-13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-/m0/s1 | 定義日: | 2024-07-01 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | (4~{R})-4-phenyl-1,2-thiazolidine 1,1-dioxide |
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 | A1IGR | 表記: | 1H-indole-3-carboxamide | 組成式: | C9 H8 N2 O | SMILES: | NC(=O)c1c[nH]c2ccccc12 | InChi: | InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12) | 定義日: | 2024-07-01 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | 1~{H}-indole-3-carboxamide |
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 | A1IGY | 表記: | (Z)-7-(4-chlorobenzyl)-1-(3-hydroxypropyl)-3-methyl-8-(4-(phenyldiazenyl)-3-(trifluoromethoxy)phenoxy)-3,7-dihydro-1H-purine-2,6-dione | 組成式: | C29 H24 Cl F3 N6 O5 | SMILES: | CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc(N=Nc5ccccc5)c(OC(F)(F)F)c4)nc12 | InChi: | InChI=1S/C29H24ClF3N6O5/c1-37-25-24(26(41)38(28(37)42)14-5-15-40)39(17-18-8-10-19(30)11-9-18)27(34-25)43-21-12-13-22(23(16-21)44-29(31,32)33)36-35-20-6-3-2-4-7-20/h2-4,6-13,16,40H,5,14-15,17H2,1H3/b36-35- | 別名: | 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[4-[(~{Z})-phenyldiazenyl]-3-(trifluoromethyloxy)phenoxy]purine-2,6-dione | 定義日: | 2024-07-02 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[4-[(~{Z})-phenyldiazenyl]-3-(trifluoromethyloxy)phenoxy]purine-2,6-dione |
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 | A1JCJ | 表記: | ~{N}-(3-chlorophenyl)-2-sulfanyl-ethanamide | 組成式: | C8 H8 Cl N O S | SMILES: | SCC(=O)Nc1cccc(Cl)c1 | InChi: | InChI=1S/C8H8ClNOS/c9-6-2-1-3-7(4-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11) | 定義日: | 2025-05-07 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | ~{N}-(3-chlorophenyl)-2-sulfanyl-ethanamide |
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 | A1JCK | 表記: | ~{N}-naphthalen-2-yl-2-sulfanyl-ethanamide | 組成式: | C12 H11 N O S | SMILES: | SCC(=O)Nc1ccc2ccccc2c1 | InChi: | InChI=1S/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14) | 別名: | SGMHGVVTMOGJMX-UHFFFAOYSA-N | 定義日: | 2025-05-07 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | ~{N}-naphthalen-2-yl-2-sulfanyl-ethanamide |
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 | A1JF8 | 表記: | ~{N}-(5-cyclopentyl-1~{H}-pyrazol-3-yl)-4-fluoranyl-2-nitro-benzamide | 組成式: | C15 H15 F N4 O3 | SMILES: | [O-][N+](=O)c1cc(F)ccc1C(=O)Nc2cc([nH]n2)C3CCCC3 | InChi: | InChI=1S/C15H15FN4O3/c16-10-5-6-11(13(7-10)20(22)23)15(21)17-14-8-12(18-19-14)9-3-1-2-4-9/h5-9H,1-4H2,(H2,17,18,19,21) | 定義日: | 2025-06-10 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | ~{N}-(5-cyclopentyl-1~{H}-pyrazol-3-yl)-4-fluoranyl-2-nitro-benzamide |
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 | A1JGB | 表記: | ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-2-pyridin-3-yl-~{N}-(thiophen-2-ylmethyl)ethanamide | 組成式: | C21 H20 N2 O S | SMILES: | O=C(Cc1cccnc1)N(Cc2sccc2)C3Cc4ccccc4C3 | InChi: | InChI=1S/C21H20N2OS/c24-21(11-16-5-3-9-22-14-16)23(15-20-8-4-10-25-20)19-12-17-6-1-2-7-18(17)13-19/h1-10,14,19H,11-13,15H2 | 定義日: | 2025-06-11 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-2-pyridin-3-yl-~{N}-(thiophen-2-ylmethyl)ethanamide |
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 | A1JGE | 表記: | 2-pyridin-3-ylquinazoline | 組成式: | C13 H9 N3 | SMILES: | c1ccc2nc(ncc2c1)c3cccnc3 | InChi: | InChI=1S/C13H9N3/c1-2-6-12-10(4-1)9-15-13(16-12)11-5-3-7-14-8-11/h1-9H | 定義日: | 2025-06-11 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | 2-pyridin-3-ylquinazoline |
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 | A1JGF | 表記: | [1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine | 組成式: | C18 H17 Cl N6 | SMILES: | NCc1ncn(Cc2nc3cc(Cl)ccc3n2Cc4ccccc4)n1 | InChi: | InChI=1S/C18H17ClN6/c19-14-6-7-16-15(8-14)22-18(11-24-12-21-17(9-20)23-24)25(16)10-13-4-2-1-3-5-13/h1-8,12H,9-11,20H2 | 定義日: | 2025-06-11 | 最終更新日: | 2025-07-04 | 公開日: | 2025-07-09 | 識別子(ID): | [1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine |
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