Structure

InChI Key GUJRSXAPGDDABA-NSHDSACASA-N
Smile CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
InChI
InChI=1S/C16H23BrN2O3/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)/t11-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23BrN2O3
Molecular Weight 371.28
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 92948
ChEMBL CHEMBL22242
DrugBank DB00409
DrugCentral 2365
EPA CompTox DTXSID6045668
FDA SRS 0223RD59PE
Human Metabolome Database HMDB0014553
PharmGKB PA164749051
PubChem 54477
SureChEMBL SCHEMBL121339
ZINC ZINC000002021799