Citation | Watterson, SH; De Lucca, GV; Shi, Q; Langevine, CM; Liu, Q; Batt, DG; Beaudoin Bertrand, M; Gong, H; Dai, J; Yip, S; Li, P; Sun, D; Wu, DR; Wang, C; Zhang, Y; Traeger, SC; Pattoli, MA; Skala, S; Cheng, L; Obermeier, MT; Vickery, R; Discenza, LN; D'Arienzo, CJ; Zhang, Y; Heimrich, E; Gillooly, KM; Taylor, TL; Pulicicchio, C; McIntyre, KW; Galella, MA; Tebben, AJ; Muckelbauer, JK; Chang, C; Rampulla, R; Mathur, A; Salter-Cid, L; Barrish, JC; Carter, PH; Fura, A; Burke, JR; Tino, JA Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locke J Med Chem59:9173-9200 (2016) [PubMed] Article |
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SMILES | Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r,wU:32.42,(57.41,-37.92,;56.08,-38.69,;54.75,-37.93,;53.42,-38.69,;53.42,-40.23,;54.75,-41,;56.09,-40.23,;57.42,-40.99,;57.42,-42.53,;56.08,-43.3,;58.75,-43.3,;58.75,-44.83,;60.08,-42.52,;61.41,-43.29,;61.41,-44.83,;62.74,-42.52,;62.73,-40.98,;61.4,-40.22,;60.08,-40.99,;58.74,-40.21,;58.74,-38.67,;54.75,-36.39,;56.09,-35.62,;56.08,-34.07,;54.75,-33.31,;54.74,-31.77,;56.07,-30.99,;53.41,-31,;53.42,-34.07,;51.95,-33.59,;51.04,-34.84,;49.51,-34.99,;48.87,-36.4,;49.78,-37.66,;51.31,-37.5,;51.94,-36.1,;53.42,-35.62,;47.37,-36,;46.28,-34.9,;47.77,-34.5,;46.28,-37.08,)| |