canSAR1708437
FEATURES
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NAMES
    SMILES
    CCCOc1ccc(C(C)=O)cc1CSc1nc(O)cc(O)n1
    InChI
    InChI=1S/C16H18N2O4S/c1-3-6-22-13-5-4-11(10(2)19)7-12(13)9-23-16-17-14(20)8-15(21)18-16/h4-5,7-8H,3,6,9H2,1-2H3,(H2,17,18,20,21)
    MOLECULAR FORMULA
    C16H18N2O4S
    CROSS REFERENCES
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    canSAR1708437
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight334.10
    AlogP3.17
    HBond donors2
    HBond acceptors6
    Atoms41
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1708437.