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canSAR82828
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NAMES
    SMILES
    CCCCc1nc(SC)c(C(C)C(=O)O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1
    InChI
    InChI=1S/C32H36N4O5S2/c1-4-5-15-28-34-30(42-3)29(22(2)31(37)38)36(28)21-24-16-18-25(19-17-24)26-13-9-10-14-27(26)43(40,41)35-32(39)33-20-23-11-7-6-8-12-23/h6-14,16-19,22H,4-5,15,20-21H2,1-3H3,(H,37,38)(H2,33,35,39)
    MOLECULAR FORMULA
    C32H36N4O5S2
    CROSS REFERENCES
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    canSAR82828

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 620.21
    AlogP 6.04
    HBond donors 3
    HBond acceptors 9
    Atoms 79
    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 canSAR82828.