canSAR1417109
FEATURES
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NAMES
    SMILES
    CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-]
    InChI
    InChI=1S/C19H21N3O7S2/c1-21(12-14-6-4-3-5-7-14)18(23)13-29-19(24)11-20-31(27,28)15-8-9-17(30-2)16(10-15)22(25)26/h3-10,20H,11-13H2,1-2H3
    MOLECULAR FORMULA
    C19H21N3O7S2
    CROSS REFERENCES
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    canSAR1417109
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight467.08
    AlogP1.80
    HBond donors1
    HBond acceptors10
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417109.