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canSAR746226
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NAMES
    SMILES
    COc1ccc2cc3[n+](cc2c1OCCCCSc1ccc2ccccc2c1)CCc1cc2c(cc1-3)OCO2
    InChI
    InChI=1S/C33H30NO4S/c1-35-30-11-9-24-17-29-27-19-32-31(37-21-38-32)18-25(27)12-13-34(29)20-28(24)33(30)36-14-4-5-15-39-26-10-8-22-6-2-3-7-23(22)16-26/h2-3,6-11,16-20H,4-5,12-15,21H2,1H3/q+1
    MOLECULAR FORMULA
    C33H30NO4S+
    CROSS REFERENCES
    746226 logo

    canSAR746226

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.19
    AlogP 7.19
    HBond donors 0
    HBond acceptors 5
    Atoms 69
    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 canSAR746226.