canSAR739215
FEATURES
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NAMES
    SMILES
    CNC(=O)[C@H](Cc1c[nH]c2c(Br)cccc12)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)c(I)c1)NC(=O)OC(C)(C)C
    InChI
    InChI=1S/C36H41BrIN5O6/c1-21(32(44)42-29(33(45)39-5)18-24-19-40-31-25(24)12-9-13-26(31)37)41-34(46)28(43-35(47)49-36(2,3)4)17-23-14-15-30(27(38)16-23)48-20-22-10-7-6-8-11-22/h6-16,19,21,28-29,40H,17-18,20H2,1-5H3,(H,39,45)(H,41,46)(H,42,44)(H,43,47)/t21-,28-,29-/m0/s1
    MOLECULAR FORMULA
    C36H41BrIN5O6
    CROSS REFERENCES
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    canSAR739215
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight845.13
    AlogP5.53
    HBond donors5
    HBond acceptors11
    Atoms90
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR739215.