canSAR2101697
FEATURES
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NAMES
    SMILES
    Cc1nccc(-c2ccc(C[C@H](NC(=O)[C@@H]3Cc4cc5c(cc4CN3C(=O)OC(C)(C)C)O[C@@H](c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CO5)C(=O)O)cc2)c1C
    InChI
    InChI=1S/C46H45Cl2N3O8/c1-26-27(2)49-17-16-35(26)30-9-6-28(7-10-30)19-38(44(53)54)50-43(52)39-20-32-21-40-41(22-33(32)23-51(39)45(55)59-46(3,4)5)58-42(25-57-40)31-11-13-34(14-12-31)56-24-29-8-15-36(47)37(48)18-29/h6-18,21-22,38-39,42H,19-20,23-25H2,1-5H3,(H,50,52)(H,53,54)/t38-,39-,42+/m0/s1
    MOLECULAR FORMULA
    C46H45Cl2N3O8
    CROSS REFERENCES
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    canSAR2101697
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight837.26
    AlogP9.24
    HBond donors2
    HBond acceptors11
    Atoms104
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2101697.