Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

FD8

概要
表記:N-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide
組成式:C20 H9 F8 N O2
電荷:0
化学式量:447.278 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
OpenEye OEToolkits1.6.1N-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]-2-(trifluoromethyl)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
SMILES_CANONICALCACTVS3.352Fc1c(F)c(F)c(Oc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c(F)c1F
SMILESCACTVS3.352Fc1c(F)c(F)c(Oc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c(F)c1F
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F
SMILESOpenEye OEToolkits1.7.0c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F
InChIInChI1.03InChI=1S/C20H9F8NO2/c21-13-14(22)16(24)18(17(25)15(13)23)31-10-5-3-4-9(8-10)29-19(30)11-6-1-2-7-12(11)20(26,27)28/h1-8H,(H,29,30)
InChIKeyInChI1.03ZTJJBXFGRJEBCQ-UHFFFAOYSA-N

222624

件を2024-07-17に公開中

PDB statisticsPDBj update infoContact PDBjnumon