canSAR1387596
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C([C@H]1C[C@H]2OCC[C@@H]2N(C(=O)c2ccccn2)C1)N1CCCCO1
    InChI
    InChI=1S/C18H23N3O4.C2HF3O2/c22-17(21-8-3-4-9-25-21)13-11-16-15(6-10-24-16)20(12-13)18(23)14-5-1-2-7-19-14;3-2(4,5)1(6)7/h1-2,5,7,13,15-16H,3-4,6,8-12H2;(H,6,7)
    MOLECULAR FORMULA
    C20H24F3N3O6
    CROSS REFERENCES
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    canSAR1387596
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight459.16
    AlogP1.89
    HBond donors1
    HBond acceptors9
    Atoms56
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387596.