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canSAR1069027
FEATURES
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NAMES
    SMILES
    O=c1[nH]c(=O)n([C@H]2C[C@H](OP3(=O)OCc4ccccc4O3)[C@@H](CO)O2)cc1[125I]
    InChI
    InChI=1S/C16H16IN2O8P/c17-10-6-19(16(22)18-15(10)21)14-5-12(13(7-20)25-14)27-28(23)24-8-9-3-1-2-4-11(9)26-28/h1-4,6,12-14,20H,5,7-8H2,(H,18,21,22)/t12-,13+,14+,28?/m0/s1/i17-2
    MOLECULAR FORMULA
    C16H16IN2O8P
    CROSS REFERENCES
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    canSAR1069027

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.97
    AlogP 1.52
    HBond donors 2
    HBond acceptors 10
    Atoms 44
    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 canSAR1069027.