canSAR1388179
FEATURES
Loading...
NAMES
    SMILES
    Cn1cc(CN2C[C@H]3COC[C@@]3(CNC(=O)c3ccco3)C2)cn1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H22N4O3.C2HF3O2/c1-20-6-13(5-19-20)7-21-8-14-9-23-12-17(14,11-21)10-18-16(22)15-3-2-4-24-15;3-2(4,5)1(6)7/h2-6,14H,7-12H2,1H3,(H,18,22);(H,6,7)
    MOLECULAR FORMULA
    C19H23F3N4O5
    CROSS REFERENCES
    Loading...
    canSAR1388179
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight444.16
    AlogP1.52
    HBond donors2
    HBond acceptors9
    Atoms54
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1388179.