Chemical Components in the PDB

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CPZ : Summary

Code

CPZ

One-letter code

X

Molecule name

4-(4-CHLOROPHENYL)IMIDAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 5-(4-chlorophenyl)-1H-imidazole
OpenEye OEToolkits 1.5.0 4-(4-chlorophenyl)-3H-imidazole

Formula

C9 H7 Cl N2

Formal charge

0

Molecular weight

178.618 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc2ccc(c1cncn1)cc2
SMILES CACTVS 3.341 Clc1ccc(cc1)c2[nH]cnc2
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1c2cnc[nH]2)Cl
Canonical SMILES CACTVS 3.341 Clc1ccc(cc1)c2[nH]cnc2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1c2cnc[nH]2)Cl

IUPAC InChI

InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)

IUPAC InChI key

DVKIFCXVRCGAEE-UHFFFAOYSA-N
CPZ

wwPDB Information

Atom count

19 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-04-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned