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canSAR1125967
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NAMES
    SMILES
    COc1cccc(CN2CCN(CC(O)COC3(C)c4ccccc4-c4c3c(N3CCN(C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1
    InChI
    InChI=1S/C49H52BrN5O3/c1-49(58-34-39(56)33-53-24-22-52(23-25-53)32-35-12-11-17-40(30-35)57-2)43-19-10-9-18-41(43)45-42-31-38(50)20-21-44(42)51-48(46(45)49)55-28-26-54(27-29-55)47(36-13-5-3-6-14-36)37-15-7-4-8-16-37/h3-21,30-31,39,47,56H,22-29,32-34H2,1-2H3
    MOLECULAR FORMULA
    C49H52BrN5O3
    CROSS REFERENCES
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    canSAR1125967

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 837.33
    AlogP 8.36
    HBond donors 1
    HBond acceptors 8
    Atoms 110
    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 canSAR1125967.