 | | X1G | | 表記: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide | | 組成式: | C13 H17 N O3 | | SMILES: | c1cc(CNC(CC(C)C)=O)cc2c1OCO2 | | InChi: | InChI=1S/C13H17NO3/c1-9(2)5-13(15)14-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,15) | | 定義日: | 2020-11-20 | | 最終更新日: | 2021-06-25 | | 公開日: | 2021-06-30 | | 識別子（ID）: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide |
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 | | X1M | | 表記: | 1-(6-methoxypyridin-2-yl)-N-methylmethanamine | | 組成式: | C8 H12 N2 O | | SMILES: | c1(nc(OC)ccc1)CNC | | InChi: | InChI=1S/C8H12N2O/c1-9-6-7-4-3-5-8(10-7)11-2/h3-5,9H,6H2,1-2H3 | | 定義日: | 2020-11-20 | | 最終更新日: | 2021-06-25 | | 公開日: | 2021-06-30 | | 識別子（ID）: | 1-(6-methoxypyridin-2-yl)-N-methylmethanamine |
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 | | TDB | | 表記: | 6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL | | 組成式: | C9 H13 B N2 O3 S2 | | SMILES: | O=S(=O)(N1N=Cc2sc(cc2B1O)C)CCC | | InChi: | InChI=1S/C9H13BN2O3S2/c1-3-4-17(14,15)12-10(13)8-5-7(2)16-9(8)6-11-12/h5-6,13H,3-4H2,1-2H3 | | 別名: | Diazaborine | | 定義日: | 1999-07-08 | | 最終更新日: | 2021-06-23 | | 識別子（ID）: | 6-methyl-2-(propylsulfonyl)thieno[3,2-d][1,2,3]diazaborinin-1(2H)-ol |
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 | | XGJ | | 表記: | (3S)-1,2,4-triazolidin-3-amine | | 組成式: | C2 H8 N4 | | SMILES: | NC1NNCN1 | | InChi: | InChI=1S/C2H8N4/c3-2-4-1-5-6-2/h2,4-6H,1,3H2/t2-/m1/s1 | | 定義日: | 2020-12-16 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | (3S)-1,2,4-triazolidin-3-amine |
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 | | XGM | | 表記: | N-hydroxypropanamide | | 組成式: | C3 H7 N O2 | | SMILES: | CCC(=O)NO | | InChi: | InChI=1S/C3H7NO2/c1-2-3(5)4-6/h6H,2H2,1H3,(H,4,5) | | 定義日: | 2020-12-16 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | N-hydroxypropanamide |
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 | | XGS | | 表記: | 1lambda~6~,2-thiazetidine-1,1-dione | | 組成式: | C2 H5 N O2 S | | SMILES: | O=S1(NCC1)=O | | InChi: | InChI=1S/C2H5NO2S/c4-6(5)2-1-3-6/h3H,1-2H2 | | 定義日: | 2020-12-16 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | 1lambda~6~,2-thiazetidine-1,1-dione |
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 | | XGV | | 表記: | pyridazin-3-amine | | 組成式: | C4 H5 N3 | | SMILES: | Nc1nnccc1 | | InChi: | InChI=1S/C4H5N3/c5-4-2-1-3-6-7-4/h1-3H,(H2,5,7) | | 定義日: | 2020-12-16 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | pyridazin-3-amine |
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 | | XGY | | 表記: | (4S)-1-methylimidazolidin-4-amine | | 組成式: | C4 H11 N3 | | SMILES: | CN1CC(NC1)N | | InChi: | InChI=1S/C4H11N3/c1-7-2-4(5)6-3-7/h4,6H,2-3,5H2,1H3/t4-/m0/s1 | | 定義日: | 2020-12-16 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | (4S)-1-methylimidazolidin-4-amine |
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 | | XH1 | | 表記: | N-propan-2-ylurea | | 組成式: | C4 H10 N2 O | | SMILES: | CC(C)NC(N)=O | | InChi: | InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7) | | 定義日: | 2020-12-16 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | N-propan-2-ylurea |
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 | | XH4 | | 表記: | [(3R)-pyrazolidin-3-yl]methanol | | 組成式: | C4 H10 N2 O | | SMILES: | OCC1NNCC1 | | InChi: | InChI=1S/C4H10N2O/c7-3-4-1-2-5-6-4/h4-7H,1-3H2/t4-/m1/s1 | | 定義日: | 2020-12-16 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | [(3R)-pyrazolidin-3-yl]methanol |
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 | | XH7 | | 表記: | (3R)-thiolane-3-carboxylic acid | | 組成式: | C5 H8 O2 S | | SMILES: | O=C(O)C1CSCC1 | | InChi: | InChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1 | | 定義日: | 2020-12-16 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | (3R)-thiolane-3-carboxylic acid |
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 | | XHD | | 表記: | 2-cyanoacetamide | | 組成式: | C3 H4 N2 O | | SMILES: | N#CCC(N)=O | | InChi: | InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6) | | 定義日: | 2020-12-16 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | 2-cyanoacetamide |
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 | | XHG | | 表記: | 1-[(2R)-oxolan-2-yl]methanamine | | 組成式: | C5 H11 N O | | SMILES: | NCC1OCCC1 | | InChi: | InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2 | | 定義日: | 2020-12-16 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | 1-[(2R)-oxolan-2-yl]methanamine |
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 | | XHJ | | 表記: | (3S)-pyrazolidin-3-amine | | 組成式: | C3 H9 N3 | | SMILES: | NC1NNCC1 | | InChi: | InChI=1S/C3H9N3/c4-3-1-2-5-6-3/h3,5-6H,1-2,4H2/t3-/m0/s1 | | 定義日: | 2020-12-16 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | (3S)-pyrazolidin-3-amine |
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 | | XJJ | | 表記: | piperazin-2-one | | 組成式: | C4 H8 N2 O | | SMILES: | O=C1NCCNC1 | | InChi: | InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7) | | 定義日: | 2020-12-17 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | piperazin-2-one |
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 | | XJM | | 表記: | 5-methyl-1H-tetrazole | | 組成式: | C2 H4 N4 | | SMILES: | Cc1nnnn1 | | InChi: | InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6) | | 定義日: | 2020-12-17 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | 5-methyl-1H-tetrazole |
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 | | XJP | | 表記: | (2S,4R)-1,3-thiazolidine-2,4-diamine | | 組成式: | C3 H9 N3 S | | SMILES: | NC1NC(SC1)N | | InChi: | InChI=1S/C3H9N3S/c4-2-1-7-3(5)6-2/h2-3,6H,1,4-5H2/t2-,3+/m1/s1 | | 定義日: | 2020-12-17 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | (2S,4R)-1,3-thiazolidine-2,4-diamine |
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 | | XJV | | 表記: | imidazolidin-2-one | | 組成式: | C3 H6 N2 O | | SMILES: | O=C1NCCN1 | | InChi: | InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6) | | 定義日: | 2020-12-17 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | imidazolidin-2-one |
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 | | XJY | | 表記: | cyclobutylboronic acid | | 組成式: | C4 H9 B O2 | | SMILES: | OB(O)C1CCC1 | | InChi: | InChI=1S/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2 | | 定義日: | 2020-12-17 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | cyclobutylboronic acid |
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 | | XK1 | | 表記: | 1-[(4R)-1,3-oxazolidin-4-yl]methanamine | | 組成式: | C4 H10 N2 O | | SMILES: | NCC1NCOC1 | | InChi: | InChI=1S/C4H10N2O/c5-1-4-2-7-3-6-4/h4,6H,1-3,5H2/t4-/m1/s1 | | 定義日: | 2020-12-17 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | 1-[(4R)-1,3-oxazolidin-4-yl]methanamine |
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 | | XK4 | | 表記: | (3R)-1,2-oxazolidin-3-amine | | 組成式: | C3 H8 N2 O | | SMILES: | NC1NOCC1 | | InChi: | InChI=1S/C3H8N2O/c4-3-1-2-6-5-3/h3,5H,1-2,4H2/t3-/m1/s1 | | 定義日: | 2020-12-17 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | (3R)-1,2-oxazolidin-3-amine |
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 | | XK7 | | 表記: | 1-aminocyclopropane-1-carboxamide | | 組成式: | C4 H8 N2 O | | SMILES: | NC(=O)C1(CC1)N | | InChi: | InChI=1S/C4H8N2O/c5-3(7)4(6)1-2-4/h1-2,6H2,(H2,5,7) | | 定義日: | 2020-12-17 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | 1-aminocyclopropane-1-carboxamide |
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 | | XKD | | 表記: | N-methyl-D-alaninamide | | 組成式: | C4 H10 N2 O | | SMILES: | CNC(=O)C(C)N | | InChi: | InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m1/s1 | | 定義日: | 2020-12-17 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | N-methyl-D-alaninamide |
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 | | XKS | | 表記: | azetidin-3-ol | | 組成式: | C3 H7 N O | | SMILES: | OC1CNC1 | | InChi: | InChI=1S/C3H7NO/c5-3-1-4-2-3/h3-5H,1-2H2 | | 定義日: | 2020-12-18 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | azetidin-3-ol |
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 | | XKV | | 表記: | (2R)-2-aminobutanamide | | 組成式: | C4 H10 N2 O | | SMILES: | CCC(N)C(N)=O | | InChi: | InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7) | | 定義日: | 2020-12-18 | | 最終更新日: | 2021-06-18 | | 公開日: | 2021-06-23 | | 識別子（ID）: | (2R)-2-aminobutanamide |
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