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IQM

概要
表記:5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide
組成式:C17 H15 F N2 O2
電荷:0
化学式量:298.312 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-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide
OpenEye OEToolkits2.0.75-fluoranyl-2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-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
SMILESACDLabs12.01NC(=O)c1cc(F)cc2cc(oc12)c1ccc(CNC)cc1
InChIInChI1.06InChI=1S/C17H15FN2O2/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15/h2-8,20H,9H2,1H3,(H2,19,21)
InChIKeyInChI1.06ROBJKLPZIPNAMV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNCc1ccc(cc1)c2oc3c(cc(F)cc3C(N)=O)c2
SMILESCACTVS3.385CNCc1ccc(cc1)c2oc3c(cc(F)cc3C(N)=O)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7CNCc1ccc(cc1)c2cc3cc(cc(c3o2)C(=O)N)F
SMILESOpenEye OEToolkits2.0.7CNCc1ccc(cc1)c2cc3cc(cc(c3o2)C(=O)N)F

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件を2024-10-09に公開中

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