Synonyms
Status
Molecule Category Free-form
UNII 1XHL4Q8P7Y
EPA CompTox DTXSID5058222

Structure

InChI Key CTPKSRZFJSJGML-UHFFFAOYSA-N
Smiles CCN(CC)C(=S)SC(=S)N(CC)CC
InChI
InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20N2S3
Molecular Weight 264.49
AlogP 2.97
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Heavy Atoms 15.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- - - - 17.98
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 17.98

Cross References

Resources Reference
ChEBI 135093
ChEMBL CHEMBL2004297
DrugCentral 3569
FDA SRS 1XHL4Q8P7Y
PubChem 7215
SureChEMBL SCHEMBL160769
ZINC ZINC000001669508