compound 4i [PMID: 2296036]

Ligand id: 2968

Name: compound 4i [PMID: 2296036]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 59.42
Molecular weight 433.21
XLogP 7.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4R)-6-{2-[4-(4-fluorophenyl)-6-phenyl-2-(propan-2-yl)pyridin-3-yl]ethyl}-4-hydroxyoxan-2-one
Database Links
ChEMBL Ligand CHEMBL156695
PubChem CID 44370459
Search Google for chemical match using the InChIKey QVBVQHTXLPNXEY-ZMFCMNQTSA-N
Search Google for chemicals with the same backbone QVBVQHTXLPNXEY
Search UniChem for chemical match using the InChIKey QVBVQHTXLPNXEY-ZMFCMNQTSA-N
Search UniChem for chemicals with the same backbone QVBVQHTXLPNXEY