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canSAR83456
FEATURES
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NAMES
    SMILES
    O=C(/C=C/C(=O)N1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1
    InChI
    InChI=1S/C29H22N4O7/c34-27(30-24-4-2-1-3-5-24)14-15-28(35)31-18-22(16-20-6-10-25(11-7-20)32(37)38)29(36)23(19-31)17-21-8-12-26(13-9-21)33(39)40/h1-17H,18-19H2,(H,30,34)/b15-14+,22-16+,23-17+
    MOLECULAR FORMULA
    C29H22N4O7
    CROSS REFERENCES
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    canSAR83456

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 538.15
    AlogP 4.58
    HBond donors 1
    HBond acceptors 11
    Atoms 62
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR83456.