JJKK 048

Ligand id: 9481

Name: JJKK 048

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 87.94
Molecular weight 434.16
XLogP 3.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[4-[bis(1,3-benzodioxol-5-yl)methyl]piperidin-1-yl]-(1,2,4-triazol-1-yl)methanone
Synonyms
JJKK-048
Database Links
PubChem CID 76313567
Search Google for chemical match using the InChIKey CLSNATLUIXZPMV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CLSNATLUIXZPMV
Search UniChem for chemical match using the InChIKey CLSNATLUIXZPMV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CLSNATLUIXZPMV
Comments
Potent and selective monoacylglycerol lipase (MAGL) inhibitor [1-2].