canSAR2151929
FEATURES
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NAMES
    SMILES
    COc1cc(N2CCC(C3CCN(CCF)CC3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
    InChI
    InChI=1S/C44H45F3N8O3/c1-57-37-12-9-30(26-32(37)43(56)52-41-33(46)6-5-7-34(41)47)40-42(55-20-4-3-8-39(55)51-40)36-13-19-48-44(50-36)49-35-11-10-31(27-38(35)58-2)54-23-16-29(17-24-54)28-14-21-53(22-15-28)25-18-45/h3-13,19-20,26-29H,14-18,21-25H2,1-2H3,(H,52,56)(H,48,49,50)
    MOLECULAR FORMULA
    C44H45F3N8O3
    CROSS REFERENCES
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    canSAR2151929
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight790.36
    AlogP8.65
    HBond donors2
    HBond acceptors11
    Atoms103
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2151929.