Structure

InChI Key APVQOOKHDZVJEX-LSBIWMFESA-N
Smile CCCN[C@@H]1CCc2nc(N)sc2C1.Cl.Cl.O
InChI
InChI=1S/C10H17N3S.2ClH.H2O/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H;1H2/t7-;;;/m1.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21Cl2N3OS
Molecular Weight 302.27
AlogP 1.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 50.94
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2105687
EPA CompTox DTXSID10238291
FDA SRS 795J01AE70
PubChem 46174453
SureChEMBL SCHEMBL2289178