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canSAR1114744
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NAMES
    SMILES
    COC(=O)c1ccc(CN2CCc3c(sc(NC(=O)c4cc(S(=O)(=O)N5CCOCC5)c(Cl)cc4Cl)c3C#N)C2)cc1
    InChI
    InChI=1S/C28H26Cl2N4O6S2/c1-39-28(36)18-4-2-17(3-5-18)15-33-7-6-19-21(14-31)27(41-24(19)16-33)32-26(35)20-12-25(23(30)13-22(20)29)42(37,38)34-8-10-40-11-9-34/h2-5,12-13H,6-11,15-16H2,1H3,(H,32,35)
    MOLECULAR FORMULA
    C28H26Cl2N4O6S2
    CROSS REFERENCES
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    canSAR1114744

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 648.07
    AlogP 4.54
    HBond donors 1
    HBond acceptors 10
    Atoms 68
    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 canSAR1114744.