atorvastatin lactone

Ligand id: 2957

Name: atorvastatin lactone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 80.56
Molecular weight 540.24
XLogP 8.84
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(4-fluorophenyl)-1-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide
Database Links
CAS Registry No. 125995-03-1 (source: Scifinder)
ChEMBL Ligand CHEMBL333687
PubChem CID 6483036
Search Google for chemical match using the InChIKey OUCSEDFVYPBLLF-KAYWLYCHSA-N
Search Google for chemicals with the same backbone OUCSEDFVYPBLLF
Search UniChem for chemical match using the InChIKey OUCSEDFVYPBLLF-KAYWLYCHSA-N
Search UniChem for chemicals with the same backbone OUCSEDFVYPBLLF
Comments
A metabolite of the approved drug atorvastatin, atorvastatin lactone is also used experimentally.