Ligand Id: 2642
Ligand name Ro 41-5253

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 89.05
Molecular weight 484.23
XLogP 8.84
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-[(E)-2-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid
Synonyms
(E)-6-[1-(4-Carboxyphenyl)propen-2-yl]-3,4-dihydro -4,4-dimethyl-7-heptyloxy-2H-benzothiophene-2,2-dioxide
LG629
R0-415253
Ro415253
Database Links
NURSA Ligand 855
PubChem CID 5312120
Search on ChemSpider JEIWQRITHXYGIF-LVZFUZTISA-N
ZINC ZINC01538323

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