compound 5 [PMID: 23232060]

Ligand id: 8192

Name: compound 5 [PMID: 23232060]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 73.65
Molecular weight 429.22
XLogP 3.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-methoxy-3-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyridin-4-yl]benzonitrile
Database Links
BindingDB Ligand 50424547
ChEMBL Ligand CHEMBL2312144
GtoPdb PubChem SID 249565872
PubChem CID 71540619
Search Google for chemical match using the InChIKey GOMSKBLQVUFHHS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GOMSKBLQVUFHHS
Search UniChem for chemical match using the InChIKey GOMSKBLQVUFHHS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GOMSKBLQVUFHHS
Comments
Compound 5 was reported in a medicinal chemistry article describing the search for potent and selective inhibitors of TRAF2 and NCK interacting kinase (TNIK) [1].