compound 22c [PMID: 16242323]

Ligand id: 6730

Name: compound 22c [PMID: 16242323]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 15
Topological polar surface area 129.81
Molecular weight 635.32
XLogP 7.72
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-(3-hydroxypropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea hydrochloride
Database Links
GtoPdb PubChem SID 178103341
PubChem CID 73755238
Search Google for chemical match using the InChIKey OXTVBHDILDPYAS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OXTVBHDILDPYAS
Search UniChem for chemical match using the InChIKey OXTVBHDILDPYAS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OXTVBHDILDPYAS