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canSAR1689976
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NAMES
    SMILES
    CCOCCOc1ccc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2c1
    InChI
    InChI=1S/C20H18N2O5/c1-2-26-7-8-27-15-4-6-16-13(11-21)12-22(18(16)10-15)14-3-5-17(20(24)25)19(23)9-14/h3-6,9-10,12,23H,2,7-8H2,1H3,(H,24,25)
    MOLECULAR FORMULA
    C20H18N2O5
    CROSS REFERENCES
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    canSAR1689976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 366.12
    AlogP 3.32
    HBond donors 2
    HBond acceptors 7
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1689976.