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canSAR2047391
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NAMES
    SMILES
    COc1cc(-c2cccc(C#N)c2)ccc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21
    InChI
    InChI=1S/C26H18N4O5S/c1-34-24-15-19(18-4-2-3-17(13-18)16-27)5-8-23(24)30-22-9-7-21(14-20(22)6-10-26(30)31)36(32,33)29-25-11-12-35-28-25/h2-15H,1H3,(H,28,29)
    MOLECULAR FORMULA
    C26H18N4O5S
    CROSS REFERENCES
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    canSAR2047391

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.10
    AlogP 4.33
    HBond donors 1
    HBond acceptors 9
    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 canSAR2047391.