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canSAR106247
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NAMES
    SMILES
    O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)F)cc3)cc1)C2
    InChI
    InChI=1S/C20H17F2N3O5/c21-19(22)30-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-28-17-9-24-10-18(25(26)27)23-20(24)29-12-17/h1-8,10,17,19H,9,11-12H2/t17-/m0/s1
    MOLECULAR FORMULA
    C20H17F2N3O5
    CROSS REFERENCES
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    canSAR106247

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.11
    AlogP 4.04
    HBond donors 0
    HBond acceptors 8
    Atoms 47
    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 canSAR106247.