UCM 793   

GtoPdb Ligand ID: 7777

Synonyms: UCM-793 | UCM793
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 41.57
Molecular weight 222.14
XLogP 1.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cccc(c1)N(CCNC(=O)C)C
Isomeric SMILES COc1cccc(c1)N(CCNC(=O)C)C
InChI InChI=1S/C12H18N2O2/c1-10(15)13-7-8-14(2)11-5-4-6-12(9-11)16-3/h4-6,9H,7-8H2,1-3H3,(H,13,15)
InChI Key FAWOXVGCBAVSFR-UHFFFAOYSA-N
References
1. Rivara S, Lodola A, Mor M, Bedini A, Spadoni G, Lucini V, Pannacci M, Fraschini F, Scaglione F, Sanchez RO et al.. (2007)
N-(substituted-anilinoethyl)amides: design, synthesis, and pharmacological characterization of a new class of melatonin receptor ligands.
J. Med. Chem., 50 (26): 6618-26. [PMID:18052314]