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canSAR2052067
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NAMES
    SMILES
    Cc1cc(/C=C/C#N)cc(C)c1Nc1ccc(F)c(Nc2ccc(C#N)cc2)n1
    InChI
    InChI=1S/C23H18FN5/c1-15-12-18(4-3-11-25)13-16(2)22(15)28-21-10-9-20(24)23(29-21)27-19-7-5-17(14-26)6-8-19/h3-10,12-13H,1-2H3,(H2,27,28,29)/b4-3+
    MOLECULAR FORMULA
    C23H18FN5
    CROSS REFERENCES
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    canSAR2052067

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.15
    AlogP 5.73
    HBond donors 2
    HBond acceptors 5
    Atoms 47
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2052067.