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)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r,wU:33.43,(73.77,-22.36,;72.44,-23.13,;71.11,-22.37,;69.77,-23.14,;69.77,-24.68,;71.11,-25.45,;72.45,-24.67,;73.78,-25.43,;73.78,-26.97,;72.44,-27.74,;75.1,-27.74,;75.11,-29.28,;76.44,-26.97,;77.77,-27.73,;77.77,-29.27,;79.1,-26.96,;79.09,-25.42,;77.76,-24.66,;76.44,-25.43,;75.1,-24.66,;75.09,-23.12,;71.11,-20.83,;72.45,-20.06,;73.78,-20.83,;72.44,-18.51,;71.1,-17.75,;71.1,-16.21,;72.43,-15.44,;69.77,-15.44,;69.78,-18.52,;68.31,-18.04,;67.4,-19.28,;65.87,-19.44,;65.23,-20.84,;66.14,-22.1,;67.67,-21.94,;68.3,-20.54,;69.77,-20.06,;63.73,-20.44,;62.63,-19.34,;64.13,-18.94,;62.64,-21.53,)| |