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canSAR1833161
FEATURES
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NAMES
    SMILES
    COc1ccc([N+](=O)[O-])cc1N(CC(O)CN(C)C)S(=O)(=O)c1ccc(C)cc1
    InChI
    InChI=1S/C19H25N3O6S/c1-14-5-8-17(9-6-14)29(26,27)21(13-16(23)12-20(2)3)18-11-15(22(24)25)7-10-19(18)28-4/h5-11,16,23H,12-13H2,1-4H3
    MOLECULAR FORMULA
    C19H25N3O6S
    CROSS REFERENCES
    1833161 logo

    canSAR1833161

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.15
    AlogP 2.03
    HBond donors 1
    HBond acceptors 9
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1833161.