compound 4d [PMID: 2296036]

Ligand id: 2969

Name: compound 4d [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 419.19
XLogP 7.15
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4R)-6-{2-[2-ethyl-4-(4-fluorophenyl)-6-phenylpyridin-3-yl]ethyl}-4-hydroxyoxan-2-one
Database Links
ChEMBL Ligand CHEMBL350895
PubChem CID 44370460
Search Google for chemical match using the InChIKey PNHBRYIAJCYNDA-VQCQRNETSA-N
Search Google for chemicals with the same backbone PNHBRYIAJCYNDA
Search UniChem for chemical match using the InChIKey PNHBRYIAJCYNDA-VQCQRNETSA-N
Search UniChem for chemicals with the same backbone PNHBRYIAJCYNDA