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canSAR1861993
FEATURES
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NAMES
    SMILES
    CC(=O)Nc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1
    InChI
    InChI=1S/C17H18N4O6S/c1-12(22)18-13-6-8-14(9-7-13)19-17(23)11-20(28(2,26)27)15-4-3-5-16(10-15)21(24)25/h3-10H,11H2,1-2H3,(H,18,22)(H,19,23)
    MOLECULAR FORMULA
    C17H18N4O6S
    CROSS REFERENCES
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    canSAR1861993

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.09
    AlogP 1.96
    HBond donors 2
    HBond acceptors 10
    Atoms 46
    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 canSAR1861993.