Structure

InChI Key SIXLXDIJGIWWFU-UHFFFAOYSA-N
Smile Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
InChI
InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20N2O4S2
Molecular Weight 368.48
AlogP 2.57
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 106.7
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1098-97-1
ChEBI 135554
ChEMBL CHEMBL488093
DrugBank DB13084
DrugCentral 2333
EPA CompTox DTXSID3048362
FDA SRS AK5Q5FZH2R
PubChem 14190
SureChEMBL SCHEMBL150551
ZINC ZINC000037866091