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canSAR545364
FEATURES
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NAMES
    SMILES
    Cc1cc(C)[n+](CC(=O)OCCc2ccc(S(N)(=O)=O)cc2)c(C)c1
    InChI
    InChI=1S/C18H23N2O4S/c1-13-10-14(2)20(15(3)11-13)12-18(21)24-9-8-16-4-6-17(7-5-16)25(19,22)23/h4-7,10-11H,8-9,12H2,1-3H3,(H2,19,22,23)/q+1
    MOLECULAR FORMULA
    C18H23N2O4S+
    CROSS REFERENCES
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    canSAR545364

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 363.14
    AlogP 1.33
    HBond donors 2
    HBond acceptors 6
    Atoms 48
    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 canSAR545364.