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canSAR566230
FEATURES
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NAMES
    SMILES
    COc1cc(S(=O)(=O)[O-])c(C)cc1/N=N/c1c(O)ccc2cc(S(=O)(=O)[O-])ccc12.[Na+].[Na+]
    InChI
    InChI=1S/C18H16N2O8S2.2Na/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;;
    MOLECULAR FORMULA
    C18H14N2Na2O8S2
    CROSS REFERENCES
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    canSAR566230

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.00
    AlogP -2.91
    HBond donors 1
    HBond acceptors 10
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR566230.