icilin

Ligand id: 2429

Name: icilin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 95.71
Molecular weight 311.09
XLogP 3.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-3,6-dihydropyrimidin-2-one
Database Links
BindingDB Ligand 50241426
CAS Registry No. 36945-98-9 (source: Scifinder)
ChEMBL Ligand CHEMBL258405
PubChem CID 161930
Search Google for chemical match using the InChIKey RCEFMOGVOYEGJN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RCEFMOGVOYEGJN
Search UniChem for chemical match using the InChIKey RCEFMOGVOYEGJN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RCEFMOGVOYEGJN
Wikipedia Icilin