NS6180

Ligand id: 9318

Name: NS6180

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 45.61
Molecular weight 323.06
XLogP 5.35
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one
Database Links
PubChem CID 11837221
Search Google for chemical match using the InChIKey ZUIJXKLTUFCDGO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZUIJXKLTUFCDGO
Search UniChem for chemical match using the InChIKey ZUIJXKLTUFCDGO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZUIJXKLTUFCDGO
Comments
KCa3.1 channel inhibitor prevents T-cell activation and inflammation in a rat model of inflammatory bowel disease.