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canSAR829433
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NAMES
    SMILES
    COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2)cc1
    InChI
    InChI=1S/C24H26ClN3O6S/c1-34-19-10-3-15(4-11-19)23(24(31)27-18-8-6-17(25)7-9-18)26-14-22(30)16-5-12-21(29)20(13-16)28-35(2,32)33/h3-13,22-23,26,28-30H,14H2,1-2H3,(H,27,31)/t22-,23-/m0/s1
    MOLECULAR FORMULA
    C24H26ClN3O6S
    CROSS REFERENCES
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    canSAR829433

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.12
    AlogP 3.43
    HBond donors 5
    HBond acceptors 9
    Atoms 61
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR829433.