compound 16 [PMID: 16242323]

Ligand id: 6726

Name: compound 16 [PMID: 16242323]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 95.59
Molecular weight 565.28
XLogP 6.92
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[2,4-bis(propan-2-yl)-1,2-dihydropyridin-3-yl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride
Database Links
GtoPdb PubChem SID 178103337
PubChem CID 73755234
Search Google for chemical match using the InChIKey UXCQVIIRKWYPHK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UXCQVIIRKWYPHK
Search UniChem for chemical match using the InChIKey UXCQVIIRKWYPHK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UXCQVIIRKWYPHK