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canSAR1766029
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NAMES
    SMILES
    C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)C(=O)Nc1ccccc1C
    InChI
    InChI=1S/C21H22N4O5/c1-13-5-3-4-6-16(13)23-20(27)21(28)25-24-14(2)11-19(26)22-15-7-8-17-18(12-15)30-10-9-29-17/h3-8,12H,9-11H2,1-2H3,(H,22,26)(H,23,27)(H,25,28)/b24-14+
    MOLECULAR FORMULA
    C21H22N4O5
    CROSS REFERENCES
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    canSAR1766029

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.16
    AlogP 2.23
    HBond donors 3
    HBond acceptors 9
    Atoms 52
    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 canSAR1766029.