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] |
---|
SMILES | CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;4.54,-2.51,;4.14,-4,;5.68,-3.91,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)| |