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canSAR1405408
FEATURES
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NAMES
    SMILES
    O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])O2)cc1F.[Na+].[Na+].[Na+]
    InChI
    InChI=1S/C10H13Cl2FN2O10P2.3Na/c11-10(12,26(19,20)21)27(22,23)24-3-6-5(16)1-7(25-6)15-2-4(13)8(17)14-9(15)18;;;/h2,5-7,16H,1,3H2,(H,22,23)(H,14,17,18)(H2,19,20,21);;;/q;3*+1/p-3/t5-,6+,7+;;;/m0.../s1
    MOLECULAR FORMULA
    C10H10Cl2FN2Na3O10P2
    CROSS REFERENCES
    1405408 logo

    canSAR1405408

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.89
    AlogP -11.09
    HBond donors 2
    HBond acceptors 12
    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 canSAR1405408.