UCM 724   Click here for help

GtoPdb Ligand ID: 7773

Synonyms: UCM-724 | UCM724
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 64.35
Molecular weight 296.15
XLogP 2.3
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc2c(c1)C(CNC(=O)N)Cc1c(C2)cccc1
Isomeric SMILES COc1ccc2c(c1)C(CNC(=O)N)Cc1c(C2)cccc1
InChI InChI=1S/C18H20N2O2/c1-22-16-7-6-14-8-12-4-2-3-5-13(12)9-15(17(14)10-16)11-20-18(19)21/h2-7,10,15H,8-9,11H2,1H3,(H3,19,20,21)
1. Lucini V, Pannacci M, Scaglione F, Fraschini F, Rivara S, Mor M, Bordi F, Plazzi PV, Spadoni G, Bedini A et al.. (2004)
Tricyclic alkylamides as melatonin receptor ligands with antagonist or inverse agonist activity.
J Med Chem, 47 (17): 4202-12. [PMID:15293992]
2. Spadoni G, Bedini A, Diamantini G, Tarzia G, Rivara S, Lorenzi S, Lodola A, Mor M, Lucini V, Pannacci M et al.. (2007)
Synthesis, enantiomeric resolution, and structure-activity relationship study of a series of 10,11-dihydro-5H-dibenzo[a,d]cycloheptene MT2 receptor antagonists.
ChemMedChem, 2 (12): 1741-9. [PMID:17907131]