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canSAR1722451
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NAMES
    SMILES
    Cc1cc(C#N)cnc1C(=O)Nc1cc([C@@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)c(F)cn1
    InChI
    InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19-/m1/s1
    MOLECULAR FORMULA
    C20H18F4N6O2
    CROSS REFERENCES
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    canSAR1722451

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.14
    AlogP 2.97
    HBond donors 3
    HBond acceptors 8
    Atoms 50
    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 canSAR1722451.