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canSAR400065
FEATURES
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NAMES
    SMILES
    CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(O)c3ccc4c(c3)CCO4)C2SC1
    InChI
    InChI=1S/C20H20N2O8S/c1-9(23)30-7-12-8-31-19-14(18(26)22(19)15(12)20(27)28)21-17(25)16(24)11-2-3-13-10(6-11)4-5-29-13/h2-3,6,14,16,19,24H,4-5,7-8H2,1H3,(H,21,25)(H,27,28)
    MOLECULAR FORMULA
    C20H20N2O8S
    CROSS REFERENCES
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    canSAR400065

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.09
    AlogP -0.04
    HBond donors 3
    HBond acceptors 10
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR400065.