compound 33 [PMID: 17574412]

Ligand id: 3010

Name: compound 33 [PMID: 17574412]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 138.41
Molecular weight 596.26
XLogP 6.79
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,5R)-7-(5-{[(4-cyanophenyl)methyl]carbamoyl}-3-(4-fluorophenyl)-4-phenyl-1-(propan-2-yl)-1H-pyrrol-2-yl)-3,5-dihydroxyheptanoate
Database Links
ChEMBL Ligand CHEMBL400874
PubChem CID 56947030
Search Google for chemical match using the InChIKey LRCUHVRZXKUPFJ-FQLXRVMXSA-M
Search Google for chemicals with the same backbone LRCUHVRZXKUPFJ
Search UniChem for chemical match using the InChIKey LRCUHVRZXKUPFJ-FQLXRVMXSA-M
Search UniChem for chemicals with the same backbone LRCUHVRZXKUPFJ