compound 13b [PMID: 2153213]

Ligand id: 3005

Name: compound 13b [PMID: 2153213]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 85.52
Molecular weight 438.21
XLogP 5.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,5R)-7-[4-(4-fluorophenyl)-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate
Database Links
ChEMBL Ligand CHEMBL162125
PubChem CID 56947025
Search Google for chemical match using the InChIKey UBFHWBHHCSSZAB-FGZHOGPDSA-M
Search Google for chemicals with the same backbone UBFHWBHHCSSZAB
Search UniChem for chemical match using the InChIKey UBFHWBHHCSSZAB-FGZHOGPDSA-M
Search UniChem for chemicals with the same backbone UBFHWBHHCSSZAB