compound 22m [PMID: 19831390]

Ligand id: 8153

Name: compound 22m [PMID: 19831390]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 145.56
Molecular weight 461.23
XLogP 2.04
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[[(cyanoamino)-[(2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methylidene]amino]-N-(2-hydroxyethyl)benzamide
Database Links
ChEMBL Ligand CHEMBL571057
GtoPdb PubChem SID 249565833
PubChem CID 44543082
Search Google for chemical match using the InChIKey BCNLLDVODACBHT-INIZCTEOSA-N
Search Google for chemicals with the same backbone BCNLLDVODACBHT
Search UniChem for chemical match using the InChIKey BCNLLDVODACBHT-INIZCTEOSA-N
Search UniChem for chemicals with the same backbone BCNLLDVODACBHT
Comments
Compound 22m is one of the analogues designed in the search for novel, biologically active LIM domain kinase 2 (LIMK2) inhibitors [1].