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canSAR92130
FEATURES
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NAMES
    SMILES
    Cn1c([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)nc2ccccc21
    InChI
    InChI=1S/C13H19N2O13P3/c1-15-8-5-3-2-4-7(8)14-13(15)12-11(17)10(16)9(26-12)6-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-5,9-12,16-17H,6H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t9-,10-,11-,12-/m1/s1
    MOLECULAR FORMULA
    C13H19N2O13P3
    CROSS REFERENCES
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    canSAR92130

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 504.01
    AlogP 0.08
    HBond donors 6
    HBond acceptors 15
    Atoms 50
    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 canSAR92130.