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

6QO

Summary
Name:(4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
Formula:C18 H11 F2 N O3
Formal charge:0
Formula weight:327.282 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.5(4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H11F2NO3/c19-12-8-7-10(9-16(12)23)18(24)14-5-2-4-13(21-14)11-3-1-6-15(22)17(11)20/h1-9,22-23H
InChIKeyInChI1.03MXIARVBICPPOCG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(ccc1F)C(=O)c2cccc(n2)c3cccc(O)c3F
SMILESCACTVS3.385Oc1cc(ccc1F)C(=O)c2cccc(n2)c3cccc(O)c3F
SMILES_CANONICALOpenEye OEToolkits2.0.5c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F
SMILESOpenEye OEToolkits2.0.5c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F

223166

건을2024-07-31부터공개중

PDB statisticsPDBj update infoContact PDBjnumon