compound 18a [PMID: 16242323]

Ligand id: 6727

Name: compound 18a [PMID: 16242323]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 109.58
Molecular weight 591.3
XLogP 8.07
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-(aminomethyl)-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride
Database Links
ChEMBL Ligand CHEMBL558774
GtoPdb PubChem SID 178103338
PubChem CID 45263291
Search Google for chemical match using the InChIKey SZCBDIVMCGFVPW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SZCBDIVMCGFVPW
Search UniChem for chemical match using the InChIKey SZCBDIVMCGFVPW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SZCBDIVMCGFVPW