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canSAR83521
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NAMES
    SMILES
    Nc1ncnc2cc(CN3CCN(Cc4nc5cc(OC(F)(F)F)ccc5[nH]4)CC3=O)ccc12
    InChI
    InChI=1S/C22H20F3N7O2/c23-22(24,25)34-14-2-4-16-18(8-14)30-19(29-16)10-31-5-6-32(20(33)11-31)9-13-1-3-15-17(7-13)27-12-28-21(15)26/h1-4,7-8,12H,5-6,9-11H2,(H,29,30)(H2,26,27,28)
    MOLECULAR FORMULA
    C22H20F3N7O2
    CROSS REFERENCES
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    canSAR83521

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.16
    AlogP 2.83
    HBond donors 3
    HBond acceptors 9
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR83521.