SMP-797

Ligand id: 6729

Name: SMP-797

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 129.81
Molecular weight 585.33
XLogP 7.27
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-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea
Synonyms
compound 22b [PMID: 16242323] [1]
Database Links
CAS Registry No. 259224-95-8 (source: Scifinder)
ChEMBL Ligand CHEMBL573970
PubChem CID 9938311
Search Google for chemical match using the InChIKey HNRUUMLUBDTZHX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HNRUUMLUBDTZHX
Search UniChem for chemical match using the InChIKey HNRUUMLUBDTZHX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HNRUUMLUBDTZHX