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

ZJF

Summary
Name:~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide
Formula:C15 H17 N3 O2
Formal charge:0
Formula weight:271.314 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H17N3O2/c19-13-7-3-6-12(8-13)18-9-14(16-10-18)15(20)17-11-4-1-2-5-11/h3,6-11,19H,1-2,4-5H2,(H,17,20)
InChIKeyInChI1.06AQKIQKNFSLFVDF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3
SMILESCACTVS3.385Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)O)n2cc(nc2)C(=O)NC3CCCC3
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)O)n2cc(nc2)C(=O)NC3CCCC3

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon