Citation | Devasthale, P; Wang, Y; Wang, W; Fevig, J; Feng, J; Wang, A; Harrity, T; Egan, D; Morgan, N; Cap, M; Fura, A; Klei, HE; Kish, K; Weigelt, C; Sun, L; Levesque, P; Moulin, F; Li, YX; Zahler, R; Kirby, MS; Hamann, LG Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to clinical candidate (Sa)-2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J Med Chem56:7343-57 (2013) [PubMed] Article |
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SMILES | Cc1[nH]c2cn(CC(O)=O)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(23.65,-50.78,;22.32,-51.55,;20.98,-50.79,;19.65,-51.56,;18.18,-51.08,;17.27,-52.34,;15.73,-52.35,;14.96,-51.02,;15.72,-49.68,;13.42,-51.03,;18.19,-53.59,;17.72,-55.06,;19.66,-53.1,;20.99,-53.87,;22.32,-53.1,;23.66,-53.87,;24.99,-53.09,;20.98,-55.41,;19.65,-56.17,;19.64,-57.71,;20.97,-58.49,;20.97,-60.03,;22.31,-57.71,;22.31,-56.18,;23.65,-55.41,)| |