TUG-424

Ligand id: 3952

Name: TUG-424

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 37.3
Molecular weight 264.12
XLogP 7.86
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{4-[2-(2-methylphenyl)ethynyl]phenyl}propanoic acid
Synonyms
TUG424
Database Links
CAS Registry No. 1082058-99-8 (source: Scifinder)
ChEMBL Ligand CHEMBL449588
PubChem CID 25150014
Search Google for chemical match using the InChIKey FODHWOBAQBTTFS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FODHWOBAQBTTFS
Search UniChem for chemical match using the InChIKey FODHWOBAQBTTFS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FODHWOBAQBTTFS