canSAR36789
FEATURES
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NAMES
    SMILES
    O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1-c1ccco1
    InChI
    InChI=1S/C13H14N2O6/c16-6-10-8(17)4-11(21-10)15-5-7(9-2-1-3-20-9)12(18)14-13(15)19/h1-3,5,8,10-11,16-17H,4,6H2,(H,14,18,19)/t8-,10-,11-/m1/s1
    MOLECULAR FORMULA
    C13H14N2O6
    CROSS REFERENCES
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    canSAR36789
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight294.09
    AlogP-0.56
    HBond donors3
    HBond acceptors8
    Atoms35
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR36789.