compound 2 [PMID: 19097784]

Ligand id: 8646

Name: compound 2 [PMID: 19097784]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 99.77
Molecular weight 475.12
XLogP 5.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophen-2-yl]ethen-1-amine
Database Links
GtoPdb PubChem SID 252166846
PubChem CID 91827384
Search Google for chemical match using the InChIKey SYQIMXCJFHFKLG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SYQIMXCJFHFKLG
Search UniChem for chemical match using the InChIKey SYQIMXCJFHFKLG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SYQIMXCJFHFKLG
Comments
Compound 2 is an in vitro polo-like kinase inhibitor tool compound [1].