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canSAR989192
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21
    InChI
    InChI=1S/C46H41BrN6O4/c1-28(2)25-39(50-46(55)56-27-37-32-13-5-3-11-30(32)31-12-4-6-14-33(31)37)45(54)57-51-43-35-16-8-7-15-34(35)41-36-26-29(47)18-19-38(36)49-44(42(41)43)53-23-21-52(22-24-53)40-17-9-10-20-48-40/h3-20,26,28,37,39H,21-25,27H2,1-2H3,(H,50,55)/b51-43+/t39-/m0/s1
    MOLECULAR FORMULA
    C46H41BrN6O4
    CROSS REFERENCES
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    canSAR989192

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 820.24
    AlogP 8.95
    HBond donors 1
    HBond acceptors 10
    Atoms 98
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR989192.