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(C[C@H]3CCCO3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |r,wU:7.6,(10.54,-37.99,;9.21,-38.77,;7.87,-38.01,;6.55,-38.77,;5.07,-38.3,;4.17,-39.56,;2.63,-39.57,;1.85,-38.24,;.3,-38.17,;-.11,-36.69,;1.18,-35.84,;2.38,-36.8,;5.08,-40.81,;4.61,-42.27,;6.55,-40.32,;7.88,-41.09,;9.21,-40.32,;10.55,-41.09,;11.88,-40.31,;7.88,-42.63,;6.54,-43.39,;6.54,-44.93,;7.87,-45.7,;7.87,-47.24,;9.21,-44.93,;9.21,-43.4,;10.54,-42.62,)| |