Citation | Kung, PP; Bingham, P; Brooun, A; Collins, M; Deng, YL; Dinh, D; Fan, C; Gajiwala, KS; Grantner, R; Gukasyan, HJ; Hu, W; Huang, B; Kania, R; Kephart, SE; Krivacic, C; Kumpf, RA; Khamphavong, P; Kraus, M; Liu, W; Maegley, KA; Nguyen, L; Ren, S; Richter, D; Rollins, RA; Sach, N; Sharma, S; Sherrill, J; Spangler, J; Stewart, AE; Sutton, S; Uryu, S; Verhelle, D; Wang, H; Wang, S; Wythes, M; Xin, S; Yamazaki, S; Zhu, H; Zhu, J; Zehnder, L; Edwards, M Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquin J Med Chem61:650-665 (2018) [PubMed] Article |
---|
SMILES | Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(59.06,-26.01,;58.74,-27.52,;59.77,-28.66,;59,-30,;57.5,-29.68,;56.35,-30.71,;57.33,-28.15,;55.99,-27.38,;54.66,-28.14,;53.34,-27.37,;52.01,-28.14,;53.35,-25.85,;52.02,-25.09,;52.02,-23.55,;53.35,-22.77,;53.35,-21.23,;52.02,-20.46,;52.02,-18.92,;53.36,-18.16,;50.7,-18.15,;49.36,-18.92,;48.03,-18.14,;49.35,-20.46,;50.69,-21.24,;50.69,-22.78,;54.68,-23.55,;56.01,-22.79,;54.68,-25.09,;55.99,-25.86,;57.33,-25.09,)| |