canSAR2147008
FEATURES
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NAMES
    SMILES
    CCOc1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
    InChI
    InChI=1S/C42H42F2N8O2/c1-2-54-36-27-31(51-24-18-30(19-25-51)50-21-5-3-6-22-50)15-16-34(36)46-42-45-20-17-35(47-42)40-38(48-37-14-4-7-23-52(37)40)28-10-8-11-29(26-28)41(53)49-39-32(43)12-9-13-33(39)44/h4,7-17,20,23,26-27,30H,2-3,5-6,18-19,21-22,24-25H2,1H3,(H,49,53)(H,45,46,47)
    MOLECULAR FORMULA
    C42H42F2N8O2
    CROSS REFERENCES
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    canSAR2147008
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight728.34
    AlogP8.59
    HBond donors2
    HBond acceptors10
    Atoms96
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2147008.