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canSAR114187
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NAMES
    SMILES
    CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)C[C@@H](NC(=O)Cc2ccccc2)C(=O)O)c(C(C)(C)C)c1
    InChI
    InChI=1S/C43H59NO6S2/c1-39(2,3)29-21-27(22-30(36(29)47)40(4,5)6)51-43(13,14)52-28-23-31(41(7,8)9)37(32(24-28)42(10,11)12)50-35(46)25-33(38(48)49)44-34(45)20-26-18-16-15-17-19-26/h15-19,21-24,33,47H,20,25H2,1-14H3,(H,44,45)(H,48,49)/t33-/m1/s1
    MOLECULAR FORMULA
    C43H59NO6S2
    CROSS REFERENCES
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    canSAR114187

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 749.38
    AlogP 10.31
    HBond donors 3
    HBond acceptors 7
    Atoms 111
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR114187.