Structure

InChI Key WCPXLMIPGMFZMY-MERQFXBCSA-N
Smile CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC.Cl
InChI
InChI=1S/C16H23BrN2O3.ClH/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3;/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20);1H/t11-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H26BrClN2O4
Molecular Weight 425.75
AlogP 2.68
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 50.8
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D2 receptor antagonist PubMed PubMed PubMed PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989556
EPA CompTox DTXSID00151829
FDA SRS MH4OU8RWCW
PubChem 60678
SureChEMBL SCHEMBL122728