compound 26b [PMID: 16242323]

Ligand id: 6733

Name: compound 26b [PMID: 16242323]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 112.82
Molecular weight 710.35
XLogP 9.36
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-(1-butyl-2-oxo-4-{3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-1,2-dihydro-1,8-naphthyridin-3-yl)urea dihydrochloride
Database Links
ChEMBL Ligand CHEMBL537859
PubChem CID 45263310
Search Google for chemical match using the InChIKey YRTFLDFDKPFNCJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YRTFLDFDKPFNCJ
Search UniChem for chemical match using the InChIKey YRTFLDFDKPFNCJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YRTFLDFDKPFNCJ