canSAR541192
FEATURES
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NAMES
    SMILES
    CCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)OCCc1ccc(S(N)(=O)=O)cc1
    InChI
    InChI=1S/C25H29N2O4S/c1-3-22-16-21(20-8-6-5-7-9-20)17-23(4-2)27(22)18-25(28)31-15-14-19-10-12-24(13-11-19)32(26,29)30/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H2,26,29,30)/q+1
    MOLECULAR FORMULA
    C25H29N2O4S+
    CROSS REFERENCES
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    canSAR541192
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight453.18
    AlogP3.20
    HBond donors2
    HBond acceptors6
    Atoms61
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR541192.