GNF362

Ligand id: 9548

Name: GNF362

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 71.84
Molecular weight 426.18
XLogP 4.51
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile
Synonyms
example 71 [US20090306039]
Database Links
PubChem CID 57999583
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Comments
GNF362 is a non-selective inhibitor of all three IP3 kinases [1] and is one of the structures claimed in patent US20090306039 [2].