canSAR734452
FEATURES
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NAMES
    SMILES
    COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](NCc2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(C)C)c(O)c1
    InChI
    InChI=1S/C45H57N5O8/c1-29(2)37(41(53)47-27-33-22-23-34(57-6)25-36(33)51)49-42(54)38(46-26-31-18-12-8-13-19-31)39(52)35(24-30-16-10-7-11-17-30)48-43(55)40(45(3,4)5)50-44(56)58-28-32-20-14-9-15-21-32/h7-23,25,29,35,37-40,46,51-52H,24,26-28H2,1-6H3,(H,47,53)(H,48,55)(H,49,54)(H,50,56)/t35-,37-,38+,39+,40+/m0/s1
    MOLECULAR FORMULA
    C45H57N5O8
    CROSS REFERENCES
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    canSAR734452
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight795.42
    AlogP4.75
    HBond donors7
    HBond acceptors13
    Atoms115
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR734452.