L-644,698

Ligand id: 1879

Name: L-644,698

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 103.14
Molecular weight 393.2
XLogP 5.37
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-[3-(3-hydroxyoctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid
Synonyms
L-644698
L644698
Database Links
CAS Registry No. 72313-41-8 (source: Scifinder)
ChEMBL Ligand CHEMBL117168
PubChem CID 9908595
Search Google for chemical match using the InChIKey NDAXAJCKSWCWQI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NDAXAJCKSWCWQI