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canSAR1595147
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NAMES
    SMILES
    CCN(CC)c1ccc(/C=C2/C(=O)c3ccc(C(=O)O)cc3C2=O)cc1
    InChI
    InChI=1S/C21H19NO4/c1-3-22(4-2)15-8-5-13(6-9-15)11-18-19(23)16-10-7-14(21(25)26)12-17(16)20(18)24/h5-12H,3-4H2,1-2H3,(H,25,26)/b18-11-
    MOLECULAR FORMULA
    C21H19NO4
    CROSS REFERENCES
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    canSAR1595147

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.13
    AlogP 3.69
    HBond donors 1
    HBond acceptors 5
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1595147.