Citation | Federico, S; Paoletta, S; Cheong, SL; Pastorin, G; Cacciari, B; Stragliotto, S; Klotz, KN; Siegel, J; Gao, ZG; Jacobson, KA; Moro, S; Spalluto, G Synthesis and Biological Evaluation of a New Series of 1,2,4-Triazolo[1,5-a]-1,3,5-triazines as Human A(2A) Adenosine Receptor Antagonists with Improved Water Solubility. J Med Chem54:877-89 (2011) [PubMed] Article |
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SMILES | Nc1nc(NCC2CCC(C[NH3+])CC2)nc2nc(nn12)-c1ccco1 |(33.51,-20.77,;33.51,-22.31,;32.18,-23.08,;32.18,-24.63,;30.84,-25.4,;29.51,-24.62,;28.17,-25.39,;26.84,-24.61,;25.51,-25.37,;25.5,-26.91,;24.16,-27.67,;22.83,-26.89,;26.83,-27.69,;28.17,-26.92,;33.51,-25.4,;34.85,-24.63,;36.32,-25.11,;37.23,-23.85,;36.32,-22.6,;34.85,-23.08,;38.77,-23.85,;39.68,-22.61,;41.14,-23.08,;41.14,-24.62,;39.68,-25.1,)| |