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canSAR2089350
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NAMES
    SMILES
    O=C(O)[C@H]1CNCC[C@@H]1CC/C=C/c1ccccc1-c1ccccc1
    InChI
    InChI=1S/C22H25NO2/c24-22(25)21-16-23-15-14-19(21)12-5-4-10-18-11-6-7-13-20(18)17-8-2-1-3-9-17/h1-4,6-11,13,19,21,23H,5,12,14-16H2,(H,24,25)/b10-4+/t19-,21-/m0/s1
    MOLECULAR FORMULA
    C22H25NO2
    CROSS REFERENCES
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    canSAR2089350

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 335.19
    AlogP 4.46
    HBond donors 2
    HBond acceptors 3
    Atoms 50
    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 canSAR2089350.