Structure

InChI Key WMWTYOKRWGGJOA-CENSZEJFSA-N
Smiles CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H31F3O5S
Molecular Weight 500.58
AlogP 4.43
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 80.67
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 34.0

Pharmacology

Target Conservation

Protein: Glucocorticoid receptor

Description: Glucocorticoid receptor

Organism : Homo sapiens

P04150 ENSG00000113580

Cross References

Resources Reference
ChEBI 31441
ChEMBL CHEMBL1473
DrugBank DB00588
DrugCentral 1225
FDA SRS O2GMZ0LF5W
Human Metabolome Database HMDB0005036
Guide to Pharmacology 7080
PharmGKB PA449686
PubChem 444036
SureChEMBL SCHEMBL4068
ZINC ZINC000003920027