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canSAR654366
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NAMES
    SMILES
    NC1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN(c2ncnc3[nH]ccc23)CC1
    InChI
    InChI=1S/C20H21F3N6O/c21-20(22,23)14-3-1-13(2-4-14)11-26-18(30)19(24)6-9-29(10-7-19)17-15-5-8-25-16(15)27-12-28-17/h1-5,8,12H,6-7,9-11,24H2,(H,26,30)(H,25,27,28)
    MOLECULAR FORMULA
    C20H21F3N6O
    CROSS REFERENCES
    654366 logo

    canSAR654366

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.17
    AlogP 2.59
    HBond donors 4
    HBond acceptors 7
    Atoms 51
    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 canSAR654366.