Citation | Lange, JH; van Stuivenberg, HH; Coolen, HK; Adolfs, TJ; McCreary, AC; Keizer, HG; Wals, HC; Veerman, W; Borst, AJ; de Looff, W; Verveer, PC; Kruse, CG Bioisosteric replacements of the pyrazole moiety of rimonabant: synthesis, biological properties, and molecular modeling investigations of thiazoles, triazoles, and imidazoles as potent and selective CB1 cannabinoid receptor antagonists. J Med Chem48:1823-38 (2005) [PubMed] Article |
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SMILES | Cc1c(nc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.6,-.33,;1.08,-.01,;.47,1.42,;-1.07,1.24,;-1.39,-.26,;-2.75,-.4,;-3.52,-1.76,;-5.06,-1.75,;-5.83,-.4,;-7.37,-.4,;-5.06,.91,;-3.52,.91,;-.06,-1.03,;-.06,-2.57,;1.24,-3.34,;1.24,-4.88,;-.09,-5.63,;-.11,-7.17,;-1.42,-4.86,;-1.39,-3.32,;-2.73,-2.53,;1.24,2.73,;1.17,4.27,;2.71,2.35,;3.8,3.45,;5.3,3.03,;6.38,4.12,;5.98,5.59,;4.49,6.01,;3.39,4.9,)| |