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canSAR1764885
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NAMES
    SMILES
    COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1C(=O)O
    InChI
    InChI=1S/C20H18N2O4/c1-12-4-6-17(13(2)8-12)22-19(23)15(11-21)9-14-5-7-18(26-3)16(10-14)20(24)25/h4-10H,1-3H3,(H,22,23)(H,24,25)/b15-9-
    MOLECULAR FORMULA
    C20H18N2O4
    CROSS REFERENCES
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    canSAR1764885

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 350.13
    AlogP 3.56
    HBond donors 2
    HBond acceptors 6
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1764885.