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canSAR645836
FEATURES
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NAMES
    SMILES
    COS(=O)(=O)[O-].Cc1ccc(S(=O)(=O)N/N=C\c2c3ccccc3[n+](C)c3ccccc23)cc1
    InChI
    InChI=1S/C22H19N3O2S.CH4O4S/c1-16-11-13-17(14-12-16)28(26,27)24-23-15-20-18-7-3-5-9-21(18)25(2)22-10-6-4-8-19(20)22;1-5-6(2,3)4/h3-15H,1-2H3;1H3,(H,2,3,4)
    MOLECULAR FORMULA
    C23H23N3O6S2
    CROSS REFERENCES
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    canSAR645836

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.10
    AlogP 2.53
    HBond donors 1
    HBond acceptors 9
    Atoms 57
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR645836.