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canSAR1620740
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NAMES
    SMILES
    CCN1CCN(c2nc(Nc3cccc(F)c3)nc(N)c2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C16H20FN7O2/c1-2-22-6-8-23(9-7-22)15-13(24(25)26)14(18)20-16(21-15)19-12-5-3-4-11(17)10-12/h3-5,10H,2,6-9H2,1H3,(H3,18,19,20,21)
    MOLECULAR FORMULA
    C16H20FN7O2
    CROSS REFERENCES
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    canSAR1620740

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.17
    AlogP 1.99
    HBond donors 3
    HBond acceptors 9
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620740.