PD168,077

Ligand id: 975

Name: PD168,077

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 59.37
Molecular weight 334.18
XLogP 3.51
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide
Synonyms
PD 168077 | PD-168,077 | PD168077
Database Links
BindingDB Ligand 50058225
CAS Registry No. 190383-31-4 (source: Scifinder)
ChEMBL Ligand CHEMBL45244
GtoPdb PubChem SID 135650802
PubChem CID 3645619
Search Google for chemical match using the InChIKey DNULYRGWTFLJQL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DNULYRGWTFLJQL
Search UniChem for chemical match using the InChIKey DNULYRGWTFLJQL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DNULYRGWTFLJQL
Wikipedia PD-168,077