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canSAR984857
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NAMES
    SMILES
    COc1ccncc1-c1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
    InChI
    InChI=1S/C26H26N4O3/c1-33-24-13-15-28-17-22(24)26-21(20-4-2-3-5-23(20)29-26)12-14-27-16-19-8-6-18(7-9-19)10-11-25(31)30-32/h2-11,13,15,17,27,29,32H,12,14,16H2,1H3,(H,30,31)/b11-10+
    MOLECULAR FORMULA
    C26H26N4O3
    CROSS REFERENCES
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    canSAR984857

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.20
    AlogP 4.09
    HBond donors 4
    HBond acceptors 7
    Atoms 59
    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 canSAR984857.