canSAR290598
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)CCC(Nc1ccc(CN(CCc2c(N)nc(N)nc2O)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C
    InChI
    InChI=1S/C32H41FN8O9/c1-31(2,3)49-26(42)12-11-22(29(44)50-32(4,5)6)36-19-9-7-18(8-10-19)17-39(14-13-20-27(34)37-30(35)38-28(20)43)24-15-21(33)23(40(45)46)16-25(24)41(47)48/h7-10,15-16,22,36H,11-14,17H2,1-6H3,(H5,34,35,37,38,43)
    MOLECULAR FORMULA
    C32H41FN8O9
    CROSS REFERENCES
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    canSAR290598
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight700.30
    AlogP4.80
    HBond donors6
    HBond acceptors17
    Atoms91
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR290598.