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IHU

概要
表記:N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA
別名:1-(2-CHLORO-4-FLUORO-BENZOYL)-3-(5-HYDROXY-2-METHOXY-PHENYL)-UREA
組成式:C15 H12 Cl F N2 O4
電荷:0
化学式量:338.718 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.042-chloro-4-fluoro-N-[(5-hydroxy-2-methoxyphenyl)carbamoyl]benzamide
OpenEye OEToolkits1.5.02-chloro-4-fluoro-N-[(5-hydroxy-2-methoxy-phenyl)carbamoyl]benzamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04O=C(c1ccc(F)cc1Cl)NC(=O)Nc2cc(O)ccc2OC
SMILES_CANONICALCACTVS3.341COc1ccc(O)cc1NC(=O)NC(=O)c2ccc(F)cc2Cl
SMILESCACTVS3.341COc1ccc(O)cc1NC(=O)NC(=O)c2ccc(F)cc2Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O
InChIInChI1.03InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22)
InChIKeyInChI1.03RFOBTYLRURSVJE-UHFFFAOYSA-N

223790

件を2024-08-14に公開中

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