L-165041

Ligand id: 2691

Name: L-165041

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 102.29
Molecular weight 402.17
XLogP 4.01
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]acetic acid
Synonyms
L165041
Database Links
BindingDB Ligand 50085041
ChEBI CHEBI:353642
ChEMBL Ligand CHEMBL153057
DrugBank Ligand DB08078
NURSA Ligand 10.1621/L8MKX53ZVY
PubChem CID 6603901
RCSB PDB Ligand L41
Search Google for chemical match using the InChIKey HBBVCKCCQCQCTJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HBBVCKCCQCQCTJ
Search UniChem for chemical match using the InChIKey HBBVCKCCQCQCTJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HBBVCKCCQCQCTJ
SynPHARM 6332 (in complex with Peroxisome proliferator-activated receptor-β/δ)
Wikipedia L-165041