compound (S)-3h [PMID:15686947]

Ligand Id: 712
Ligand name compound (S)-3h [PMID:15686947]

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 56.49
Molecular weight 370.14
XLogP 5.21
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
2-chloro-6-[(2R)-2-hydroxy-3-[(2S)-2-(phenylmethyl)pyrrolidin-1-yl]propoxy]benzonitrile
Synonyms
2-benzylpyrridine-substituted aryloxypropanol analogue
Database Links
ChEBI CHEBI:400577
ChEMBL Ligand CHEMBL178083
PubChem CID 11710462
Search Google for chemical match using the InChIKey HSTMYWDURDPUMY-ZWKOTPCHSA-N
Search Google for chemicals with the same backbone HSTMYWDURDPUMY