canSAR289499
FEATURES
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NAMES
    SMILES
    Cc1ccc(CC(CN/C(S)=N/Cc2ccc(NS(=O)(=O)c3ccccc3)cc2)COC(=O)C(C)(C)C)cc1C
    InChI
    InChI=1S/C31H39N3O4S2/c1-22-11-12-25(17-23(22)2)18-26(21-38-29(35)31(3,4)5)20-33-30(39)32-19-24-13-15-27(16-14-24)34-40(36,37)28-9-7-6-8-10-28/h6-17,26,34H,18-21H2,1-5H3,(H2,32,33,39)
    MOLECULAR FORMULA
    C31H39N3O4S2
    CROSS REFERENCES
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    canSAR289499
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight581.24
    AlogP5.93
    HBond donors2
    HBond acceptors7
    Atoms79
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR289499.