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canSAR1091447
FEATURES
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NAMES
    SMILES
    C/C(=N\Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1cc(O)ccc1O
    InChI
    InChI=1S/C20H18N4O6S/c1-13(17-11-15(25)7-10-20(17)26)21-22-18-9-8-16(12-19(18)24(27)28)31(29,30)23-14-5-3-2-4-6-14/h2-12,22-23,25-26H,1H3/b21-13+
    MOLECULAR FORMULA
    C20H18N4O6S
    CROSS REFERENCES
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    canSAR1091447

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.09
    AlogP 3.64
    HBond donors 4
    HBond acceptors 10
    Atoms 49
    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 canSAR1091447.