Structure

InChI Key LRWSFOSWNAQHHW-UHFFFAOYSA-N
Smiles CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChI
InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H38F3N3O2S
Molecular Weight 549.7
AlogP 6.83
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 12.0
Polar Surface Area 36.02
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 38.0

Bioactivity

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST PubMed PubMed PubMed Wikipedia
Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295

Cross References

Resources Reference
ChEBI 5125
ChEMBL CHEMBL1200951
DrugCentral 1214
FDA SRS QSB34YF0W9
KEGG C07955
PubChem 3389
SureChEMBL SCHEMBL120793
ZINC ZINC000022446649