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canSAR562212
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NAMES
    SMILES
    CC(C)Oc1ccc(Cc2ccccc2)cc1/C(O)=C/C(=O)C(=O)O.[Mg+2]
    InChI
    InChI=1S/C20H20O5.Mg/c1-13(2)25-19-9-8-15(10-14-6-4-3-5-7-14)11-16(19)17(21)12-18(22)20(23)24;/h3-9,11-13,21H,10H2,1-2H3,(H,23,24);/q;+2/b17-12-;
    MOLECULAR FORMULA
    C20H20MgO5+2
    CROSS REFERENCES
    562212 logo

    canSAR562212

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 364.12
    AlogP 3.24
    HBond donors 2
    HBond acceptors 5
    Atoms 46
    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 canSAR562212.