Chemical Components in the PDB

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ZJF : Summary

Code

ZJF

One-letter code

X

Molecule name

~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide

Formula

C15 H17 N3 O2

Formal charge

0

Molecular weight

271.314 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3
SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)O)n2cc(nc2)C(=O)NC3CCCC3
Canonical SMILES CACTVS 3.385 Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)O)n2cc(nc2)C(=O)NC3CCCC3

IUPAC InChI

InChI=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)

IUPAC InChI key

AQKIQKNFSLFVDF-UHFFFAOYSA-N
ZJF

wwPDB Information

Atom count

37 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-06-26

Last modified at

2023-11-17

Status

Released

Obsoleted

Not Assigned