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

Q8E

Summary
Name:~{N}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide
Formula:C14 H14 N2 O2 Se
Formal charge:0
Formula weight:321.233 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H14N2O2Se/c1-18-13-7-6-10(8-15-13)9-16-14(17)11-4-2-3-5-12(11)19/h2-8,19H,9H2,1H3,(H,16,17)
InChIKeyInChI1.03SGEBTMJCWYBJSF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(CNC(=O)c2ccccc2[SeH])cn1
SMILESCACTVS3.385COc1ccc(CNC(=O)c2ccccc2[SeH])cn1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(cn1)CNC(=O)c2ccccc2[SeH]
SMILESOpenEye OEToolkits2.0.7COc1ccc(cn1)CNC(=O)c2ccccc2[SeH]

226707

PDB entries from 2024-10-30

PDB statisticsPDBj update infoContact PDBjnumon