canSAR1774053
FEATURES
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NAMES
    SMILES
    CC(=O)OCC1=C(C(=O)[O-])N2C(=O)/C(=C/C(=O)OC(C)(C)C)[C@H]2SC1
    InChI
    InChI=1S/C16H19NO7S/c1-8(18)23-6-9-7-25-14-10(5-11(19)24-16(2,3)4)13(20)17(14)12(9)15(21)22/h5,14H,6-7H2,1-4H3,(H,21,22)/p-1/b10-5-/t14-/m1/s1
    MOLECULAR FORMULA
    C16H18NO7S-
    CROSS REFERENCES
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    canSAR1774053
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight368.08
    AlogP-0.26
    HBond donors0
    HBond acceptors8
    Atoms43
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1774053.