Structure

InChI Key OTFDPNXIVHBTKW-UHFFFAOYSA-N
Smiles CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl
InChI
InChI=1S/C15H24N2O4S.ClH/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3;/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H25ClN2O4S
Molecular Weight 364.9
AlogP 1.17
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 75.71
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 94.93-106.24

Cross References

Resources Reference
ChEBI 32220
ChEMBL CHEMBL1256772
FDA SRS 25N106WEDO
PubChem 39855
SureChEMBL SCHEMBL355315