Structure

InChI Key KSGCNXAZROJSNW-UHFFFAOYSA-N
Smiles CCS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChI
InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H15NO3S
Molecular Weight 337.4
AlogP 4.44
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 60.17
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
110-187 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
110-187 - - - -
Mus musculus
910 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL1773683
DrugBank DB12888
FDA SRS 645R07LF0D
Guide to Pharmacology 11110
PubChem 25109292
SureChEMBL SCHEMBL732212
ZINC ZINC000071297091