Structure

InChI Key LFMYNZPAVPMEGP-PIDGMYBPSA-N
Smiles COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C15H21F3N2O2.C4H4O4/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18;5-3(6)1-2-4(7)8/h5-8H,2-4,9-11,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b20-14+;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25F3N2O6
Molecular Weight 434.41
AlogP 3.2
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 56.84
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Serotonin transporter inhibitor INHIBITOR FDA Wikipedia

Target Conservation

Protein: Serotonin transporter

Description: Sodium-dependent serotonin transporter

Organism : Homo sapiens

P31645 ENSG00000108576

Cross References

Resources Reference
ChEBI 5139
ChEMBL CHEMBL1409
FDA SRS 5LGN83G74V
Guide to Pharmacology 7189
KEGG C07571
PDB FVX
PubChem 9560989
SureChEMBL SCHEMBL35225
ZINC ZINC03872605