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canSAR1013404
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NAMES
    SMILES
    Cn1c(OCC(C)(C)C(=O)O)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1
    InChI
    InChI=1S/C25H24N4O4/c1-25(2,23(31)32)15-33-24-28-27-21(29(24)3)17-10-12-20(13-11-17)26-22(30)19-9-8-16-6-4-5-7-18(16)14-19/h4-14H,15H2,1-3H3,(H,26,30)(H,31,32)
    MOLECULAR FORMULA
    C25H24N4O4
    CROSS REFERENCES
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    canSAR1013404

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.18
    AlogP 4.38
    HBond donors 2
    HBond acceptors 8
    Atoms 57
    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 canSAR1013404.