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canSAR1636746
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NAMES
    SMILES
    CC1CCN(Cc2c(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)nnn2-c2nonc2N)CC1
    InChI
    InChI=1S/C20H22F3N9O2/c1-12-5-7-31(8-6-12)11-15-16(26-30-32(15)18-17(24)28-34-29-18)19(33)27-25-10-13-3-2-4-14(9-13)20(21,22)23/h2-4,9-10,12H,5-8,11H2,1H3,(H2,24,28)(H,27,33)/b25-10+
    MOLECULAR FORMULA
    C20H22F3N9O2
    CROSS REFERENCES
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    canSAR1636746

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.18
    AlogP 2.25
    HBond donors 3
    HBond acceptors 11
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1636746.