A331440

Ligand id: 4023

Name: A331440

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 39.5
Molecular weight 349.22
XLogP 4.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-[3-[(3R)-3-dimethylaminopyrrolidin-1-yl]propoxy]phenyl]benzonitrile
Synonyms
A 331440
A-331440
Database Links
CAS Registry No. 392338-13-5 (source: Scifinder)
ChEMBL Ligand CHEMBL319000
PubChem CID 9884746
Search Google for chemical match using the InChIKey FXIPXWLVYIHFEP-OAQYLSRUSA-N
Search Google for chemicals with the same backbone FXIPXWLVYIHFEP