Ligand Id: 4153
Ligand name CFTRinh-172

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 115
Molecular weight 409.01
XLogP 5.7
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-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)benzoic acid
Synonyms
3-[(3-trifluoromethyl)phenyl]-5-[(4-carboxyphenyl)methylene]-2-thioxo-4-thiazolidinone
Database Links
Search on ChemSpider JIMHYXZZCWVCMI-UHFFFAOYSA-N
ZINC ZINC00966859, ZINC13829351

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