canSAR1387045
FEATURES
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NAMES
    SMILES
    CCN1CCCC(OCC(O)(c2ccccc2)c2ccccc2)C1.CI
    InChI
    InChI=1S/C21H27NO2.CH3I/c1-2-22-15-9-14-20(16-22)24-17-21(23,18-10-5-3-6-11-18)19-12-7-4-8-13-19;1-2/h3-8,10-13,20,23H,2,9,14-17H2,1H3;1H3
    MOLECULAR FORMULA
    C22H30INO2
    CROSS REFERENCES
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    canSAR1387045
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight467.13
    AlogP4.47
    HBond donors1
    HBond acceptors3
    Atoms56
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387045.