compound 3j [PMID: 2231594]

Ligand id: 2979

Name: compound 3j [PMID: 2231594]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 113.87
Molecular weight 438.16
XLogP 4.95
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S)-4-({[2-(4-fluoro-3-methylphenyl)-4-methyl-6-(propan-2-yl)phenyl]methoxy}(hydroxy)phosphoryl)-3-hydroxybutanoic acid
Database Links
ChEMBL Ligand CHEMBL319318
GtoPdb PubChem SID 135649780
PubChem CID 44331788
Search Google for chemical match using the InChIKey WHQUHTXULUACFD-KRWDZBQOSA-N
Search Google for chemicals with the same backbone WHQUHTXULUACFD
Search UniChem for chemical match using the InChIKey WHQUHTXULUACFD-KRWDZBQOSA-N
Search UniChem for chemicals with the same backbone WHQUHTXULUACFD