PNU-120596

Ligand id: 3991

Name: PNU-120596

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 85.62
Molecular weight 311.07
XLogP 2
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
Synonyms
PNU-120,596
Database Links
CAS Registry No. 501925-31-1 (source: Scifinder)
ChEMBL Ligand CHEMBL257591
PubChem CID 311434
Search Google for chemical match using the InChIKey CEIIEALEIHQDBX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CEIIEALEIHQDBX
Search UniChem for chemical match using the InChIKey CEIIEALEIHQDBX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CEIIEALEIHQDBX
Wikipedia PNU-120,596