canSAR2164136
FEATURES
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NAMES
    SMILES
    CCCN1CCN(c2ccc(Nc3nccc(-c4c(-c5ccc(OCC)c(C(=O)Nc6c(F)cccc6F)c5)nc5ccccn45)n3)c(OC)c2)CC1
    InChI
    InChI=1S/C40H40F2N8O3/c1-4-18-48-20-22-49(23-21-48)27-13-14-31(34(25-27)52-3)44-40-43-17-16-32(45-40)38-36(46-35-11-6-7-19-50(35)38)26-12-15-33(53-5-2)28(24-26)39(51)47-37-29(41)9-8-10-30(37)42/h6-17,19,24-25H,4-5,18,20-23H2,1-3H3,(H,47,51)(H,43,44,45)
    MOLECULAR FORMULA
    C40H40F2N8O3
    CROSS REFERENCES
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    canSAR2164136
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight718.32
    AlogP7.67
    HBond donors2
    HBond acceptors11
    Atoms93
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2164136.