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canSAR1616158
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NAMES
    SMILES
    CN(Cc1ccccc1)c1ccc(C(CC(N)=O)NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-]
    InChI
    InChI=1S/C24H23BrN4O4/c1-28(15-16-5-3-2-4-6-16)21-12-9-18(13-22(21)29(32)33)20(14-23(26)30)27-24(31)17-7-10-19(25)11-8-17/h2-13,20H,14-15H2,1H3,(H2,26,30)(H,27,31)
    MOLECULAR FORMULA
    C24H23BrN4O4
    CROSS REFERENCES
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    canSAR1616158

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.09
    AlogP 4.34
    HBond donors 3
    HBond acceptors 8
    Atoms 56
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1616158.