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FJT

概要
表記:~{N}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
組成式:C18 H13 Cl F N3 O4
電荷:0
化学式量:389.765 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.6~{N}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-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
InChIInChI1.03InChI=1S/C18H13ClFN3O4/c19-13-7-12(20)3-2-11(13)6-16-22-23-18(27-16)17(24)21-8-10-1-4-14-15(5-10)26-9-25-14/h1-5,7H,6,8-9H2,(H,21,24)
InChIKeyInChI1.03DDGOMXRMDQDHAN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(Cc2oc(nn2)C(=O)NCc3ccc4OCOc4c3)c(Cl)c1
SMILESCACTVS3.385Fc1ccc(Cc2oc(nn2)C(=O)NCc3ccc4OCOc4c3)c(Cl)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc2c(cc1CNC(=O)c3nnc(o3)Cc4ccc(cc4Cl)F)OCO2
SMILESOpenEye OEToolkits2.0.6c1cc2c(cc1CNC(=O)c3nnc(o3)Cc4ccc(cc4Cl)F)OCO2

223532

件を2024-08-07に公開中

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