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canSAR561190
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NAMES
    SMILES
    Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1
    InChI
    InChI=1S/C21H21N3O3S/c1-15-12-18(17-6-4-3-5-7-17)13-16(2)24(15)14-21(25)23-19-8-10-20(11-9-19)28(22,26)27/h3-13H,14H2,1-2H3,(H2-,22,23,25,26,27)/p+1
    MOLECULAR FORMULA
    C21H22N3O3S+
    CROSS REFERENCES
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    canSAR561190

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.14
    AlogP 2.54
    HBond donors 3
    HBond acceptors 6
    Atoms 50
    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 canSAR561190.