canSAR1087231
FEATURES
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NAMES
    SMILES
    COc1ccc2c(=O)c(/C=C/C(=O)NCc3ccc(C)cc3)coc2c1
    InChI
    InChI=1S/C21H19NO4/c1-14-3-5-15(6-4-14)12-22-20(23)10-7-16-13-26-19-11-17(25-2)8-9-18(19)21(16)24/h3-11,13H,12H2,1-2H3,(H,22,23)/b10-7+
    MOLECULAR FORMULA
    C21H19NO4
    CROSS REFERENCES
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    canSAR1087231
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight349.13
    AlogP3.44
    HBond donors1
    HBond acceptors5
    Atoms45
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087231.