moclobemide   

GtoPdb Ligand ID: 7428

Synonyms: GNF-Pf-695 | Manerix®
moclobemide is an approved drug
Compound class: Synthetic organic
Comment: Moclobemide is a reversible inhibitor of monoamine oxidase A (RIMA) [1]. It is an antidepressant and anxiolytic (antianxiety) drug.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 41.57
Molecular weight 268.1
XLogP 1.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1ccc(cc1)Cl)NCCN1CCOCC1
Isomeric SMILES O=C(c1ccc(cc1)Cl)NCCN1CCOCC1
InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChI Key YHXISWVBGDMDLQ-UHFFFAOYSA-N