JNK inhibitor V

Ligand id: 5997

Name: JNK inhibitor V

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 111.82
Molecular weight 372.12
XLogP 3.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(2Z)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(2-{[2-(pyridin-3-yl)ethyl]amino}pyrimidin-4-yl)acetonitrile
Synonyms
AS-601245 | AS601245 | SAPK inhibitor V
Database Links
CAS Registry No. 345987-15-7
ChEMBL Ligand CHEMBL191384
PubChem CID 11422035
Search Google for chemical match using the InChIKey AVLYNJZZQYEFEA-XDJHFCHBSA-N
Search Google for chemicals with the same backbone AVLYNJZZQYEFEA
Search UniChem for chemical match using the InChIKey AVLYNJZZQYEFEA-XDJHFCHBSA-N
Search UniChem for chemicals with the same backbone AVLYNJZZQYEFEA
Comments
This is compound 59 in [2].