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canSAR564544
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NAMES
    SMILES
    Cc1cc(C)[n+](CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)c(C)c1
    InChI
    InChI=1S/C22H24N4O5S2/c1-15-11-16(2)26(17(3)12-15)14-22(27)24-18-7-9-20(10-8-18)33(30,31)25-19-5-4-6-21(13-19)32(23,28)29/h4-13,25H,14H2,1-3H3,(H2-,23,24,27,28,29)/p+1
    MOLECULAR FORMULA
    C22H25N4O5S2+
    CROSS REFERENCES
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    canSAR564544

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.13
    AlogP 1.99
    HBond donors 4
    HBond acceptors 9
    Atoms 58
    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 canSAR564544.