Structure

InChI Key FBSMERQALIEGJT-UHFFFAOYSA-N
Smiles CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChI
InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20Cl2N2S
Molecular Weight 355.33
AlogP 4.89
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Metabolites Network

visNetwork

Pharmacology

Target Conservation

Protein: Serotonin 2a (5-HT2a) receptor

Description: 5-hydroxytryptamine receptor 2A

Organism : Homo sapiens

P28223 ENSG00000102468

Cross References

Resources Reference
ChEBI 3649
ChEMBL CHEMBL1713
FDA SRS 9WP59609J6
Guide to Pharmacology 83
KEGG C07952
PDB Z80
PubChem 6240
SureChEMBL SCHEMBL41771
ZINC ZINC00044027