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canSAR126653
FEATURES
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NAMES
    SMILES
    CC1=C(c2cn(C3CC(O)C(COP(=O)(O)O)O3)c(=O)[nH]c2=O)C(=O)c2ccccc2C1=O
    InChI
    InChI=1S/C20H19N2O10P/c1-9-16(18(25)11-5-3-2-4-10(11)17(9)24)12-7-22(20(27)21-19(12)26)15-6-13(23)14(32-15)8-31-33(28,29)30/h2-5,7,13-15,23H,6,8H2,1H3,(H,21,26,27)(H2,28,29,30)
    MOLECULAR FORMULA
    C20H19N2O10P
    CROSS REFERENCES
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    canSAR126653

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.08
    AlogP 0.15
    HBond donors 4
    HBond acceptors 12
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR126653.