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canSAR98742
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NAMES
    SMILES
    COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)N(S(N)(=O)=O)CC2
    InChI
    InChI=1S/C17H19N3O6S/c1-25-15-9-12-7-8-19(27(18,23)24)17(14(12)10-16(15)26-2)11-3-5-13(6-4-11)20(21)22/h3-6,9-10,17H,7-8H2,1-2H3,(H2,18,23,24)
    MOLECULAR FORMULA
    C17H19N3O6S
    CROSS REFERENCES
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    canSAR98742

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.10
    AlogP 1.76
    HBond donors 2
    HBond acceptors 9
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR98742.