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canSAR1513840
FEATURES
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NAMES
    SMILES
    Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1.[O-][Cl+3]([O-])([O-])[O-]
    InChI
    InChI=1S/C22H20N4O3S2.ClHO4/c1-14-10-17(16-6-4-3-5-7-16)11-15(2)26(14)13-21(27)24-18-8-9-19-20(12-18)30-22(25-19)31(23,28)29;2-1(3,4)5/h3-12H,13H2,1-2H3,(H2-,23,24,27,28,29);(H,2,3,4,5)
    MOLECULAR FORMULA
    C22H21ClN4O7S2
    CROSS REFERENCES
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    canSAR1513840

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 552.05
    AlogP -1.60
    HBond donors 3
    HBond acceptors 11
    Atoms 57
    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 canSAR1513840.