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canSAR992691
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NAMES
    SMILES
    CCOc1cccc(-c2ccc(NC(=O)/C(C#N)=C(\O)CC)cc2C(=O)OC)c1
    InChI
    InChI=1S/C22H22N2O5/c1-4-20(25)19(13-23)21(26)24-15-9-10-17(18(12-15)22(27)28-3)14-7-6-8-16(11-14)29-5-2/h6-12,25H,4-5H2,1-3H3,(H,24,26)/b20-19-
    MOLECULAR FORMULA
    C22H22N2O5
    CROSS REFERENCES
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    canSAR992691

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.15
    AlogP 4.22
    HBond donors 2
    HBond acceptors 7
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR992691.