example 166 [WO2014154727]

Ligand id: 7892

Name: example 166 [WO2014154727]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 121.52
Molecular weight 414.08
XLogP 4.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[3-[3-(2-amino-2-oxoethyl)phenyl]-5-chlorophenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
Database Links
PubChem CID 78426198
Search Google for chemical match using the InChIKey SRVXSISGYBMIHR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SRVXSISGYBMIHR
Search UniChem for chemical match using the InChIKey SRVXSISGYBMIHR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SRVXSISGYBMIHR
Comments
Sanofi cathepsin A inhibitor.