Structure

InChI Key VRQVVMDWGGWHTJ-CQSZACIVSA-N
Smiles COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2
InChI
InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24N2OS
Molecular Weight 328.48
AlogP 4.5
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 15.71
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
D2-like dopamine receptor antagonist ANTAGONIST ISBN Wikipedia Wikipedia

Related Entries

Cross References

Resources Reference
ChEBI 6838
ChEMBL CHEMBL1764
DrugBank DB01403
DrugCentral 1752
FDA SRS 9G0LAW7ATQ
Human Metabolome Database HMDB0015474
Guide to Pharmacology 7603
KEGG C07192
PharmGKB PA164743234
PubChem 72287
SureChEMBL SCHEMBL25462
ZINC ZINC000000020246