canSAR2095987
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccc(Br)cc2)cc1
    InChI
    InChI=1S/C34H43BrN8O5/c35-25-15-11-22(12-16-25)21-48-26-17-13-23(14-18-26)29(30(37)44)43-33(47)27(9-4-5-19-36)42-32(46)28(10-6-20-40-34(38)39)41-31(45)24-7-2-1-3-8-24/h1-3,7-8,11-18,27-29H,4-6,9-10,19-21,36H2,(H2,37,44)(H,41,45)(H,42,46)(H,43,47)(H4,38,39,40)/t27-,28-,29+/m0/s1
    MOLECULAR FORMULA
    C34H43BrN8O5
    CROSS REFERENCES
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    canSAR2095987
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight722.25
    AlogP2.35
    HBond donors11
    HBond acceptors13
    Atoms91
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095987.