compound 13g [PMID: 2153213]

Ligand id: 3002

Name: compound 13g [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 452.22
XLogP 5.65
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)-5-methyl-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate
Database Links
ChEMBL Ligand CHEMBL436037
GtoPdb PubChem SID 135649753
PubChem CID 56947028
Search Google for chemical match using the InChIKey JHURQXGATCGLIV-DHIUTWEWSA-M
Search Google for chemicals with the same backbone JHURQXGATCGLIV
Search UniChem for chemical match using the InChIKey JHURQXGATCGLIV-DHIUTWEWSA-M
Search UniChem for chemicals with the same backbone JHURQXGATCGLIV