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canSAR650368
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NAMES
    SMILES
    CCOC(=O)c1c(-c2ccc(-c3ccc(OC)cc3)cc2)csc1NC(=O)c1ccccc1C(=O)O
    InChI
    InChI=1S/C28H23NO6S/c1-3-35-28(33)24-23(19-10-8-17(9-11-19)18-12-14-20(34-2)15-13-18)16-36-26(24)29-25(30)21-6-4-5-7-22(21)27(31)32/h4-16H,3H2,1-2H3,(H,29,30)(H,31,32)
    MOLECULAR FORMULA
    C28H23NO6S
    CROSS REFERENCES
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    canSAR650368

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.12
    AlogP 6.22
    HBond donors 2
    HBond acceptors 7
    Atoms 59
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR650368.