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O41

概要
表記:5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
組成式:C13 H19 N3 O4 S
電荷:0
化学式量:313.373 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.015-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
OpenEye OEToolkits2.0.75-cyclopropyl-~{N}-(1-methylsulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01C1N(CCC(C1)NC(=O)c3cc(C2CC2)on3)S(C)(=O)=O
InChIInChI1.03InChI=1S/C13H19N3O4S/c1-21(18,19)16-6-4-10(5-7-16)14-13(17)11-8-12(20-15-11)9-2-3-9/h8-10H,2-7H2,1H3,(H,14,17)
InChIKeyInChI1.03KHFWLXQEZOVIGK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3
SMILESCACTVS3.385C[S](=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3
SMILES_CANONICALOpenEye OEToolkits2.0.7CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3

218853

件を2024-04-24に公開中

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