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canSAR140365
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NAMES
    SMILES
    O=C(/C=C/C#Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)NO
    InChI
    InChI=1S/C17H13N3O6S/c21-17(18-22)7-2-1-4-13-5-3-6-14(12-13)19-27(25,26)16-10-8-15(9-11-16)20(23)24/h2-3,5-12,19,22H,(H,18,21)/b7-2+
    MOLECULAR FORMULA
    C17H13N3O6S
    CROSS REFERENCES
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    canSAR140365

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.05
    AlogP 1.81
    HBond donors 3
    HBond acceptors 9
    Atoms 40
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR140365.