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canSAR1591363
FEATURES
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NAMES
    SMILES
    COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1O
    InChI
    InChI=1S/C17H18N2O3/c1-22-16-11-14(7-9-15(16)20)12-18-19-17(21)10-8-13-5-3-2-4-6-13/h2-7,9,11-12,20H,8,10H2,1H3,(H,19,21)/b18-12+
    MOLECULAR FORMULA
    C17H18N2O3
    CROSS REFERENCES
    1591363 logo

    canSAR1591363

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 298.13
    AlogP 2.48
    HBond donors 2
    HBond acceptors 5
    Atoms 40
    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 canSAR1591363.