Citation | Candito, DA; Simov, V; Gulati, A; Kattar, S; Chau, RW; Lapointe, BT; Methot, JL; DeMong, DE; Graham, TH; Kurukulasuriya, R; Keylor, MH; Tong, L; Morriello, GJ; Acton, JJ; Pio, B; Liu, W; Scott, JD; Ardolino, MJ; Martinot, TA; Maddess, ML; Yan, X; Gunaydin, H; Palte, RL; McMinn, SE; Nogle, L; Yu, H; Minnihan, EC; Lesburg, CA; Liu, P; Su, J; Hegde, LG; Moy, LY; Woodhouse, JD; Faltus, R; Xiong, T; Ciaccio, P; Piesvaux, JA; Otte, KM; Kennedy, ME; Bennett, DJ; DiMauro, EF; Fell, MJ; Neelamkavil, S; Wood, HB; Fuller, PH; Ellis, JM Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 J Med Chem65:16801-16817 (2022) [PubMed] |
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SMILES | CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |(8.37,-.94,;7.28,-2.03,;6.88,-.54,;8.37,-3.12,;5.79,-2.43,;5.39,-3.92,;3.85,-4,;4.42,-2.54,;3.3,-2.56,;4.5,-1.59,;1.81,-2.16,;1.42,-.68,;-.07,-.28,;-1.16,-1.37,;-.76,-2.86,;.72,-3.25,;-.47,1.21,;.44,2.46,;-.47,3.7,;-1.93,3.23,;-3.26,4,;-4.6,3.23,;-4.6,1.68,;-3.26,.92,;-1.93,1.69,;-5.93,.91,;-7.34,1.54,;-8.37,.39,;-7.6,-.94,;-6.09,-.62,)| |