canSAR2167345
FEATURES
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NAMES
    SMILES
    C#Cc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc(C(=O)NCCOCCOCCOC)c1
    InChI
    InChI=1S/C44H50N6O9S/c1-8-29-23-30(42(51)46-17-18-57-21-22-58-20-19-55-5)25-32(24-29)47-40-28-33(15-16-45-40)59-39-14-13-36(34-11-9-10-12-35(34)39)48-43(52)49-37-26-31(44(2,3)4)27-38(41(37)56-6)50-60(7,53)54/h1,9-16,23-28,50H,17-22H2,2-7H3,(H,45,47)(H,46,51)(H2,48,49,52)
    MOLECULAR FORMULA
    C44H50N6O9S
    CROSS REFERENCES
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    canSAR2167345
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight838.34
    AlogP7.48
    HBond donors5
    HBond acceptors15
    Atoms110
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2167345.