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canSAR64546
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NAMES
    SMILES
    c1ccc2c(Cc3ccc(SCCN4CCCC4)cc3)c(-c3ccc(OCCN4CCCC4)cc3)sc2c1
    InChI
    InChI=1S/C33H38N2OS2/c1-2-8-32-30(7-1)31(25-26-9-15-29(16-10-26)37-24-22-35-19-5-6-20-35)33(38-32)27-11-13-28(14-12-27)36-23-21-34-17-3-4-18-34/h1-2,7-16H,3-6,17-25H2
    MOLECULAR FORMULA
    C33H38N2OS2
    CROSS REFERENCES
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    canSAR64546

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.24
    AlogP 7.82
    HBond donors 0
    HBond acceptors 3
    Atoms 76
    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 canSAR64546.