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canSAR1125946
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NAMES
    SMILES
    Cc1ccc(C2(CCNCc3ccccc3O)CCOCC2)cc1
    InChI
    InChI=1S/C21H27NO2/c1-17-6-8-19(9-7-17)21(11-14-24-15-12-21)10-13-22-16-18-4-2-3-5-20(18)23/h2-9,22-23H,10-16H2,1H3
    MOLECULAR FORMULA
    C21H27NO2
    CROSS REFERENCES
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    canSAR1125946

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 325.20
    AlogP 3.93
    HBond donors 2
    HBond acceptors 3
    Atoms 51
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1125946.