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canSAR2048180
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NAMES
    SMILES
    COc1cc(C)c(S(=O)(=O)NC(=O)c2cccc3cccnc23)cc1-c1ccc(C#CCO)s1
    InChI
    InChI=1S/C25H20N2O5S2/c1-16-14-21(32-2)20(22-11-10-18(33-22)8-5-13-28)15-23(16)34(30,31)27-25(29)19-9-3-6-17-7-4-12-26-24(17)19/h3-4,6-7,9-12,14-15,28H,13H2,1-2H3,(H,27,29)
    MOLECULAR FORMULA
    C25H20N2O5S2
    CROSS REFERENCES
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    canSAR2048180

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.08
    AlogP 3.74
    HBond donors 2
    HBond acceptors 7
    Atoms 54
    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 canSAR2048180.