canSAR2168429
FEATURES
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NAMES
    SMILES
    COc1cc(N2CCC(C3CCN(CCF)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
    InChI
    InChI=1S/C43H43F3N8O2/c1-56-37-27-32(53-23-16-29(17-24-53)28-14-21-52(22-15-28)25-18-44)11-12-35(37)48-43-47-19-13-36(49-43)41-39(50-38-10-2-3-20-54(38)41)30-6-4-7-31(26-30)42(55)51-40-33(45)8-5-9-34(40)46/h2-13,19-20,26-29H,14-18,21-25H2,1H3,(H,51,55)(H,47,48,49)
    MOLECULAR FORMULA
    C43H43F3N8O2
    CROSS REFERENCES
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    canSAR2168429
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight760.35
    AlogP8.64
    HBond donors2
    HBond acceptors10
    Atoms99
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2168429.