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canSAR730531
FEATURES
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NAMES
    SMILES
    CC(=O)Nc1ccc(S(=O)(=O)Oc2cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1
    InChI
    InChI=1S/C16H16N6O10S/c1-10(23)17-11-4-6-12(7-5-11)33(29,30)32-16-9-15(31-18-22(28)19(2)3)13(20(24)25)8-14(16)21(26)27/h4-9H,1-3H3,(H,17,23)/b22-18-
    MOLECULAR FORMULA
    C16H16N6O10S
    CROSS REFERENCES
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    canSAR730531

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.06
    AlogP 1.96
    HBond donors 1
    HBond acceptors 16
    Atoms 49
    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 canSAR730531.