canSAR54183
FEATURES
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NAMES
    SMILES
    CCNC(=O)Nc1ccc(-c2nc3n(Cc4c(F)cccc4F)cc(C(=O)OCC)c(=O)n3c2CN(CC(=O)NCc2cn(CCOCCOCCOCCOCCN=[N+]=[N-])nn2)Cc2ccccc2)cc1
    InChI
    InChI=1S/C48H57F2N13O9/c1-3-52-47(67)55-36-15-13-35(14-16-36)44-42(63-45(65)39(46(66)72-4-2)31-61(48(63)56-44)30-38-40(49)11-8-12-41(38)50)32-60(28-34-9-6-5-7-10-34)33-43(64)53-27-37-29-62(59-57-37)18-20-69-22-24-71-26-25-70-23-21-68-19-17-54-58-51/h5-16,29,31H,3-4,17-28,30,32-33H2,1-2H3,(H,53,64)(H2,52,55,67)
    MOLECULAR FORMULA
    C48H57F2N13O9
    CROSS REFERENCES
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    canSAR54183
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight997.44
    AlogP5.09
    HBond donors3
    HBond acceptors22
    Atoms129
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR54183.