Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

6UG

Summary
Name:2-fluoranyl-~{N}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide
Formula:C20 H13 F5 N2 O
Formal charge:0
Formula weight:392.322 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.52-fluoranyl-~{N}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H13F5N2O/c1-11-2-9-17(18(26-11)12-3-6-14(21)7-4-12)27-19(28)15-8-5-13(10-16(15)22)20(23,24)25/h2-10H,1H3,(H,27,28)
InChIKeyInChI1.03FBACRSKJFHDTDV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c(n1)c3ccc(F)cc3
SMILESCACTVS3.385Cc1ccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c(n1)c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.5Cc1ccc(c(n1)c2ccc(cc2)F)NC(=O)c3ccc(cc3F)C(F)(F)F
SMILESOpenEye OEToolkits2.0.5Cc1ccc(c(n1)c2ccc(cc2)F)NC(=O)c3ccc(cc3F)C(F)(F)F

223166

數據於2024-07-31公開中

PDB statisticsPDBj update infoContact PDBjnumon