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canSAR559067
FEATURES
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NAMES
    SMILES
    O=c1cc(I)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
    InChI
    InChI=1S/C9H13IN2O12P2/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(23-8)2-22-26(20,21)24-25(17,18)19/h1,3,6-8,14-15H,2H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
    MOLECULAR FORMULA
    C9H13IN2O12P2
    CROSS REFERENCES
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    canSAR559067

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 529.90
    AlogP -2.01
    HBond donors 6
    HBond acceptors 14
    Atoms 39
    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 canSAR559067.