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canSAR706329
FEATURES
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NAMES
    SMILES
    O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1-c1ccco1
    InChI
    InChI=1S/C13H15N2O9P/c16-8-4-11(24-10(8)6-23-25(19,20)21)15-5-7(9-2-1-3-22-9)12(17)14-13(15)18/h1-3,5,8,10-11,16H,4,6H2,(H,14,17,18)(H2,19,20,21)/t8-,10+,11+/m0/s1
    MOLECULAR FORMULA
    C13H15N2O9P
    CROSS REFERENCES
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    canSAR706329

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 374.05
    AlogP -0.45
    HBond donors 4
    HBond acceptors 11
    Atoms 40
    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 canSAR706329.