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canSAR784414
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NAMES
    SMILES
    Cc1cc(N2C(=O)[C@H]3C4C=CC([C@@H](O)[C@H]4O)[C@H]3C2=O)ccc1Br
    InChI
    InChI=1S/C17H16BrNO4/c1-7-6-8(2-5-11(7)18)19-16(22)12-9-3-4-10(13(12)17(19)23)15(21)14(9)20/h2-6,9-10,12-15,20-21H,1H3/t9?,10?,12-,13+,14-,15+
    MOLECULAR FORMULA
    C17H16BrNO4
    CROSS REFERENCES
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    canSAR784414

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.03
    AlogP 1.40
    HBond donors 2
    HBond acceptors 5
    Atoms 39
    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 canSAR784414.