Structure

InChI Key APVQOOKHDZVJEX-QTPLPEIMSA-N
Smiles 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-;;;/m0.../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

Pharmacology

Mechanism of Action Action Reference
D2-like dopamine receptor agonist AGONIST DailyMed

Cross References

Resources Reference
ChEBI 51147
ChEMBL CHEMBL3182733
FDA SRS 3D867NP06J
KEGG D05575
PubChem 166589
SureChEMBL SCHEMBL153875
ZINC ZINC03781664