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canSAR1149576
FEATURES
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NAMES
    SMILES
    CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(OC)c2)c1
    InChI
    InChI=1S/C21H20N2O6/c1-3-28-17-6-4-5-16(11-17)23-21(26)15(12-22)9-14-7-8-18(19(10-14)27-2)29-13-20(24)25/h4-11H,3,13H2,1-2H3,(H,23,26)(H,24,25)/b15-9-
    MOLECULAR FORMULA
    C21H20N2O6
    CROSS REFERENCES
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    canSAR1149576

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.13
    AlogP 3.10
    HBond donors 2
    HBond acceptors 8
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1149576.