canSAR2080648
FEATURES
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NAMES
    SMILES
    Fc1cccnc1OC[C@@]12CCO[C@@H]1CCN(CC1CCOCC1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H27FN2O3.2C2HF3O2/c20-16-2-1-7-21-18(16)25-14-19-6-11-24-17(19)3-8-22(13-19)12-15-4-9-23-10-5-15;2*3-2(4,5)1(6)7/h1-2,7,15,17H,3-6,8-14H2;2*(H,6,7)/t17-,19+;;/m1../s1
    MOLECULAR FORMULA
    C23H29F7N2O7
    CROSS REFERENCES
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    canSAR2080648
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight578.19
    AlogP3.77
    HBond donors2
    HBond acceptors9
    Atoms68
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080648.