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canSAR986761
FEATURES
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NAMES
    SMILES
    O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2
    InChI
    InChI=1S/C20H17F3N4O5/c21-20(22,23)15-4-1-13(2-5-15)14-3-6-18(24-9-14)31-8-7-30-16-10-26-11-17(27(28)29)25-19(26)32-12-16/h1-6,9,11,16H,7-8,10,12H2/t16-/m0/s1
    MOLECULAR FORMULA
    C20H17F3N4O5
    CROSS REFERENCES
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    canSAR986761

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.12
    AlogP 3.73
    HBond donors 0
    HBond acceptors 9
    Atoms 49
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR986761.