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canSAR1403959
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NAMES
    SMILES
    Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccc1
    InChI
    InChI=1S/C25H28N4O2/c1-19-16-23(20(2)29(19)24-6-4-3-5-7-24)17-26-27-25(30)22-10-8-21(9-11-22)18-28-12-14-31-15-13-28/h3-11,16-17H,12-15,18H2,1-2H3,(H,27,30)/b26-17+
    MOLECULAR FORMULA
    C25H28N4O2
    CROSS REFERENCES
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    canSAR1403959

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.22
    AlogP 3.69
    HBond donors 1
    HBond acceptors 6
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1403959.