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canSAR993475
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NAMES
    SMILES
    CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(OC(F)F)c2)c(C(=O)OC)c1
    InChI
    InChI=1S/C21H18F2N2O5/c1-3-18(26)17(11-24)19(27)25-13-7-8-15(16(10-13)20(28)29-2)12-5-4-6-14(9-12)30-21(22)23/h4-10,21,26H,3H2,1-2H3,(H,25,27)/b18-17-
    MOLECULAR FORMULA
    C21H18F2N2O5
    CROSS REFERENCES
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    canSAR993475

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.12
    AlogP 4.43
    HBond donors 2
    HBond acceptors 7
    Atoms 48
    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 canSAR993475.