compound 26a [PMID: 16242323]

Ligand id: 6732

Name: compound 26a [PMID: 16242323]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 109.58
Molecular weight 611.38
XLogP 10.04
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-4-[3-(4-methylpentoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea
Database Links
GtoPdb PubChem SID 178103343
PubChem CID 73755242
Search Google for chemical match using the InChIKey PRCCYAKPEIWHCQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PRCCYAKPEIWHCQ
Search UniChem for chemical match using the InChIKey PRCCYAKPEIWHCQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PRCCYAKPEIWHCQ
Comments
Note that in [1] this compound is used as its dihydrochloride salt.