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canSAR1596429
FEATURES
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NAMES
    SMILES
    CCOP(=O)(OCC)C(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F
    InChI
    InChI=1S/C13H15F3N3O8P/c1-3-26-28(25,27-4-2)12(13(14,15)16)17-11(20)8-5-9(18(21)22)7-10(6-8)19(23)24/h5-7,12H,3-4H2,1-2H3,(H,17,20)
    MOLECULAR FORMULA
    C13H15F3N3O8P
    CROSS REFERENCES
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    canSAR1596429

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.05
    AlogP 3.39
    HBond donors 1
    HBond acceptors 11
    Atoms 43
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1596429.