CP-339818

Ligand id: 2558

Name: CP-339818

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 15.6
Molecular weight 304.19
XLogP 7.05
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-pentyl-1-(phenylmethyl)quinolin-4-imine
Synonyms
CP 339818 | CP339818
Database Links
BindingDB Ligand 50083523
CAS Registry No. 185855-91-8 (source: Scifinder)
PubChem CID 656767
Search Google for chemical match using the InChIKey MMGAVKCAGQCFHS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MMGAVKCAGQCFHS
Search UniChem for chemical match using the InChIKey MMGAVKCAGQCFHS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MMGAVKCAGQCFHS
Comments
This compound is represented on ChEMBL and ChEBI with specified stereochemistry by the entries CHEMBL281622 and CHEBI:34602.