EFATUTAZONE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 76B44WEA8O

Structure

InChI Key WFIOHOJEIMQCEG-UHFFFAOYSA-N
Smiles Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N.Cl.Cl
InChI
InChI=1S/C27H26N4O4S.2ClH/c1-15-10-20(11-16(2)25(15)28)35-19-8-9-21-22(13-19)31(3)24(29-21)14-34-18-6-4-17(5-7-18)12-23-26(32)30-27(33)36-23;;/h4-11,13,23H,12,14,28H2,1-3H3,(H,30,32,33);2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H28Cl2N4O4S
Molecular Weight 575.52
AlogP 5.04
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 108.47
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor gamma agonist AGONIST PubMed Other Other

Target Conservation

Protein: Peroxisome proliferator-activated receptor gamma
Description: Peroxisome proliferator-activated receptor gamma
Organism : Homo sapiens
P37231 ENSG00000132170

Cross References

Resources Reference
ChEMBL CHEMBL3545279
FDA SRS 76B44WEA8O
SureChEMBL SCHEMBL1258672
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