canSAR2166753
FEATURES
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NAMES
    SMILES
    COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)n2)cc(OCCOCCOCCO)c1
    InChI
    InChI=1S/C40H48N6O10S/c1-40(2,3)26-21-33(37(52-5)34(22-26)46-57(6,49)50)44-39(48)43-32-11-12-35(31-10-8-7-9-30(31)32)56-36-13-14-41-38(45-36)42-27-23-28(51-4)25-29(24-27)55-20-19-54-18-17-53-16-15-47/h7-14,21-25,46-47H,15-20H2,1-6H3,(H,41,42,45)(H2,43,44,48)
    MOLECULAR FORMULA
    C40H48N6O10S
    CROSS REFERENCES
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    canSAR2166753
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight804.32
    AlogP6.90
    HBond donors5
    HBond acceptors16
    Atoms105
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2166753.