canSAR1387921
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C1NC2(CCN(CC3CC3)CC2)CC1c1ccccc1
    InChI
    InChI=1S/C18H24N2O.C2HF3O2/c21-17-16(15-4-2-1-3-5-15)12-18(19-17)8-10-20(11-9-18)13-14-6-7-14;3-2(4,5)1(6)7/h1-5,14,16H,6-13H2,(H,19,21);(H,6,7)
    MOLECULAR FORMULA
    C20H25F3N2O3
    CROSS REFERENCES
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    canSAR1387921
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight398.18
    AlogP3.17
    HBond donors2
    HBond acceptors5
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387921.