Citation | Ruminski, PG; Massa, M; Strohbach, J; Hanau, CE; Schmidt, M; Scholten, JA; Fletcher, TR; Hamper, BC; Carroll, JN; Shieh, HS; Caspers, N; Collins, B; Grapperhaus, M; Palmquist, KE; Collins, J; Baldus, JE; Hitchcock, J; Kleine, HP; Rogers, MD; McDonald, J; Munie, GE; Messing, DM; Portolan, S; Whiteley, LO; Sunyer, T; Schnute, ME Discovery of N-(4-Fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide. A Highly Selective and Orally Bioavailable Matrix Metalloproteinase-13 Inhibitor for the Potential Treatment of Osteoarthritis. J Med Chem59:313-27 (2016) [PubMed] Article |
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SMILES | COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(C[C@H]3CC[C@H](CO)CC3)n2)c1 |r,wU:26.27,wD:23.23,(6.64,-9.72,;6.65,-8.49,;5.32,-7.71,;3.98,-8.48,;2.65,-7.7,;2.66,-6.16,;3.99,-5.4,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.4,-1.39,;,-1.54,;,3.08,;1.24,3.97,;.77,5.43,;-.77,5.43,;-1.68,6.67,;-1.05,8.08,;.48,8.24,;1.11,9.64,;.21,10.89,;.84,12.3,;2.07,12.42,;-1.32,10.73,;-1.95,9.33,;-1.25,3.96,;5.33,-6.17,)| |