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KXO

概要
表記:6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
組成式:C19 H19 F4 N3 O
電荷:0
化学式量:381.367 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
OpenEye OEToolkits1.6.16-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-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
SMILES_CANONICALCACTVS3.352Fc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F
SMILESCACTVS3.352Fc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(cc(c1)F)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F
SMILESOpenEye OEToolkits1.7.0c1cc(cc(c1)F)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F
InChIInChI1.03InChI=1S/C19H19F4N3O/c20-15-3-1-2-13(10-15)17-5-4-14(11-24-17)18(27)25-16-6-8-26(9-7-16)12-19(21,22)23/h1-5,10-11,16H,6-9,12H2,(H,25,27)
InChIKeyInChI1.03LPUCBGGXXIUBAZ-UHFFFAOYSA-N

224931

件を2024-09-11に公開中

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