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canSAR842503
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C=C2c3cc4c(c(O)c3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4
    InChI
    InChI=1S/C16H15NO8/c1-5(18)25-8-3-7-6-2-9-15(24-4-23-9)13(20)10(6)16(22)17-11(7)14(21)12(8)19/h2-3,8,11-12,14,19-21H,4H2,1H3,(H,17,22)/t8-,11+,12+,14-/m0/s1
    MOLECULAR FORMULA
    C16H15NO8
    CROSS REFERENCES
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    canSAR842503

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.08
    AlogP -0.72
    HBond donors 4
    HBond acceptors 9
    Atoms 40
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR842503.