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canSAR1828828
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NAMES
    SMILES
    CC(C)COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)O)cc1
    InChI
    InChI=1S/C20H20N2O6/c1-13(2)12-28-17-8-6-15(7-9-17)19(23)21-18(20(24)25)11-14-4-3-5-16(10-14)22(26)27/h3-11,13H,12H2,1-2H3,(H,21,23)(H,24,25)/b18-11+
    MOLECULAR FORMULA
    C20H20N2O6
    CROSS REFERENCES
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    canSAR1828828

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 384.13
    AlogP 3.49
    HBond donors 2
    HBond acceptors 8
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1828828.