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canSAR1717630
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NAMES
    SMILES
    CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)C1
    InChI
    InChI=1S/C13H16N2O6S/c1-14(11-6-7-22(19,20)9-11)13(16)8-21-12-4-2-10(3-5-12)15(17)18/h2-5,11H,6-9H2,1H3
    MOLECULAR FORMULA
    C13H16N2O6S
    CROSS REFERENCES
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    canSAR1717630

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 328.07
    AlogP 0.62
    HBond donors 0
    HBond acceptors 8
    Atoms 38
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1717630.