canSAR541599
FEATURES
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NAMES
    SMILES
    Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1CCc1ccc(S(N)(=O)=O)cc1
    InChI
    InChI=1S/C26H25N2O2S/c1-20-18-24(22-8-4-2-5-9-22)19-26(23-10-6-3-7-11-23)28(20)17-16-21-12-14-25(15-13-21)31(27,29)30/h2-15,18-19H,16-17H2,1H3,(H2,27,29,30)/q+1
    MOLECULAR FORMULA
    C26H25N2O2S+
    CROSS REFERENCES
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    canSAR541599
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight429.16
    AlogP4.51
    HBond donors2
    HBond acceptors4
    Atoms56
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR541599.