compound 8b [PMID: 1992138]

Ligand id: 2966

Name: compound 8b [PMID: 1992138]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 59.42
Molecular weight 439.14
XLogP 6.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
(4R,6S)-6-[(E)-2-[6-chloro-4-(4-fluorophenyl)-2-(propan-2-yl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
Database Links
ChEMBL Ligand CHEMBL333258
GtoPdb PubChem SID 135649813
PubChem CID 14229352
Search Google for chemical match using the InChIKey FRJJJAKBRKABFA-TYFAACHXSA-N
Search Google for chemicals with the same backbone FRJJJAKBRKABFA
Search UniChem for chemical match using the InChIKey FRJJJAKBRKABFA-TYFAACHXSA-N
Search UniChem for chemicals with the same backbone FRJJJAKBRKABFA