L-796449

Ligand id: 2689

Name: L-796449

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 84.97
Molecular weight 494.13
XLogP 8.83
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[3-chloro-4-[3-[(3-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]acetic acid
Synonyms
L 796449 | L-796,449 | L796449
Database Links
BindingDB Ligand 50085040
CAS Registry No. 194608-80-5 (source: Scifinder)
ChEMBL Ligand CHEMBL278994
PubChem CID 9891946
Search Google for chemical match using the InChIKey KAPDPGZDHUCILF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KAPDPGZDHUCILF
Search UniChem for chemical match using the InChIKey KAPDPGZDHUCILF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KAPDPGZDHUCILF