ST074946

Ligand id: 6539

Name: ST074946

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 62.28
Molecular weight 280.13
XLogP 2.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-amino-6,6-dimethyl-2-phenyl-8H-pyrano[4,5-e]pyridazine-4-carbonitrile
Database Links
ChEMBL Ligand CHEMBL171632
PubChem CID 738951
Search Google for chemical match using the InChIKey XQJQZTOXHGIQCA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XQJQZTOXHGIQCA
Search UniChem for chemical match using the InChIKey XQJQZTOXHGIQCA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XQJQZTOXHGIQCA
Comments
PubChem Confirmatory BioAssay for Sentrin-Specific Protease 8