Structure

InChI Key PKWDZWYVIHVNKS-UHFFFAOYSA-N
Smile O=C1NC(=O)C(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1
InChI
InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H16FNO3S
Molecular Weight 381.43
AlogP 4.45
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 55.4
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Peroxisome proliferator-activated receptor gamma modulator PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL93747
DrugBank DB09199
EPA CompTox DTXSID5043712
FDA SRS QOV2JZ647A
Guide to Pharmacology 2707
PubChem 204109
SureChEMBL SCHEMBL142658