canSAR2148321
FEATURES
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NAMES
    SMILES
    COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc(C(=O)NCCN2CCOCC2(C)C)c1
    InChI
    InChI=1S/C44H53N7O8S/c1-43(2,3)29-23-36(40(57-7)37(24-29)50-60(8,54)55)49-42(53)48-35-13-14-38(34-12-10-9-11-33(34)35)59-31-15-16-45-39(26-31)47-30-21-28(22-32(25-30)56-6)41(52)46-17-18-51-19-20-58-27-44(51,4)5/h9-16,21-26,50H,17-20,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
    MOLECULAR FORMULA
    C44H53N7O8S
    CROSS REFERENCES
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    canSAR2148321
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight839.37
    AlogP7.94
    HBond donors5
    HBond acceptors15
    Atoms113
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2148321.