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canSAR744633
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NAMES
    SMILES
    CC(=O)N(O)C/C=C(\c1ccc(C#N)cc1)P(=O)(O)O.N.N
    InChI
    InChI=1S/C12H13N2O5P.2H3N/c1-9(15)14(16)7-6-12(20(17,18)19)11-4-2-10(8-13)3-5-11;;/h2-6,16H,7H2,1H3,(H2,17,18,19);2*1H3/b12-6+;;
    MOLECULAR FORMULA
    C12H19N4O5P
    CROSS REFERENCES
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    canSAR744633

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 330.11
    AlogP 1.64
    HBond donors 9
    HBond acceptors 9
    Atoms 41
    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 canSAR744633.