compound 42 [PMID: 17574411]

Ligand id: 3001

Name: compound 42 [PMID: 17574411]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 105.83
Molecular weight 573.22
XLogP 6.29
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,5R)-7-[5-(3-fluorophenyl)-1-(4-fluorophenyl)-4-oxo-3-(propan-2-yl)-3H,4H,5H-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoate
Database Links
ChEMBL Ligand CHEMBL228528
PubChem CID 56947029
Search Google for chemical match using the InChIKey BJKPZWFEYXVKOA-JWQCQUIFSA-M
Search Google for chemicals with the same backbone BJKPZWFEYXVKOA
Search UniChem for chemical match using the InChIKey BJKPZWFEYXVKOA-JWQCQUIFSA-M
Search UniChem for chemicals with the same backbone BJKPZWFEYXVKOA