canSAR2096012
FEATURES
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NAMES
    SMILES
    O=c1[nH]c(=O)n(CCC(CO)CO)cc1-c1cccs1
    InChI
    InChI=1S/C13H16N2O4S/c16-7-9(8-17)3-4-15-6-10(11-2-1-5-20-11)12(18)14-13(15)19/h1-2,5-6,9,16-17H,3-4,7-8H2,(H,14,18,19)
    MOLECULAR FORMULA
    C13H16N2O4S
    CROSS REFERENCES
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    canSAR2096012
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight296.08
    AlogP0.26
    HBond donors3
    HBond acceptors6
    Atoms36
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096012.