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canSAR1830961
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NAMES
    SMILES
    COc1cccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)c1
    InChI
    InChI=1S/C18H16N2O3/c1-12-6-8-14(9-7-12)20-18(22)16(17(21)19-20)11-13-4-3-5-15(10-13)23-2/h3-11H,1-2H3,(H,19,21)/b16-11-
    MOLECULAR FORMULA
    C18H16N2O3
    CROSS REFERENCES
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    canSAR1830961

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 308.12
    AlogP 2.47
    HBond donors 1
    HBond acceptors 5
    Atoms 39
    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 canSAR1830961.