canSAR1650542
FEATURES
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NAMES
    SMILES
    Cc1cc(SCC(=O)N/N=C/c2ccc(O)c(O)c2O)c(C)cc1Br
    InChI
    InChI=1S/C17H17BrN2O4S/c1-9-6-14(10(2)5-12(9)18)25-8-15(22)20-19-7-11-3-4-13(21)17(24)16(11)23/h3-7,21,23-24H,8H2,1-2H3,(H,20,22)/b19-7+
    MOLECULAR FORMULA
    C17H17BrN2O4S
    CROSS REFERENCES
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    canSAR1650542
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight424.01
    AlogP3.43
    HBond donors4
    HBond acceptors6
    Atoms42
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1650542.