canSAR2063749
FEATURES
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NAMES
    SMILES
    CCSc1ccc(-c2nnc(SCC(=O)O)[nH]2)cc1
    InChI
    InChI=1S/C12H13N3O2S2/c1-2-18-9-5-3-8(4-6-9)11-13-12(15-14-11)19-7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)(H,13,14,15)
    MOLECULAR FORMULA
    C12H13N3O2S2
    CROSS REFERENCES
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    canSAR2063749
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight295.04
    AlogP2.76
    HBond donors2
    HBond acceptors5
    Atoms32
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2063749.