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canSAR2091862
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NAMES
    SMILES
    Cc1nc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)[nH]c1C
    InChI
    InChI=1S/C20H24F3N7/c1-12-10-29(6-7-30(12)17-5-4-16(9-24-17)20(21,22)23)11-15-8-25-28-18(15)19-26-13(2)14(3)27-19/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,25,28)(H,26,27)/t12-/m1/s1
    MOLECULAR FORMULA
    C20H24F3N7
    CROSS REFERENCES
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    canSAR2091862

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.20
    AlogP 3.54
    HBond donors 2
    HBond acceptors 7
    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 canSAR2091862.