Ligand Id: 1942
Ligand name ONO-AE3-208

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 90.19
Molecular weight 404.15
XLogP 5.36
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
4-[4-cyano-2-[2-(4-fluoronaphthalen-1-yl)propanoylamino]phenyl]butanoic acid
Synonyms
2-[[2-[2-(2-methylnaphthalen-1-yl)propanoylamino]phenyl]methyl]benzoic acid
Database Links
PubChem CID 10111831
Search on ChemSpider MTDIMKNAJUQTIO-UHFFFAOYSA-N
ZINC ZINC33821993, ZINC33821994, ZINC34230994, ZINC34230995

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org