compound 30 [PMID: 22902653]

Ligand id: 8118

Name: compound 30 [PMID: 22902653]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 143.05
Molecular weight 503.21
XLogP 4.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[5-[6-(2,6-dimethyl-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]-3-methylurea
Database Links
ChEMBL Ligand CHEMBL2070613
PubChem CID 58688690
Search Google for chemical match using the InChIKey RYXLLTGGHCFCFK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RYXLLTGGHCFCFK
Search UniChem for chemical match using the InChIKey RYXLLTGGHCFCFK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RYXLLTGGHCFCFK
Comments
Compound 30 was designed as an inhibitor of the LIM domain kinases LIMK1 and LIMK2 [2]