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canSAR835634
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NAMES
    SMILES
    CCOc1ccc(/C=C/c2cccc[n+]2C)cc1.COc1ccc(S(=O)(=O)[O-])cc1
    InChI
    InChI=1S/C16H18NO.C7H8O4S/c1-3-18-16-11-8-14(9-12-16)7-10-15-6-4-5-13-17(15)2;1-11-6-2-4-7(5-3-6)12(8,9)10/h4-13H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b10-7+;
    MOLECULAR FORMULA
    C23H25NO5S
    CROSS REFERENCES
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    canSAR835634

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.15
    AlogP 3.68
    HBond donors 0
    HBond acceptors 6
    Atoms 55
    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 canSAR835634.