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canSAR782366
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NAMES
    SMILES
    Brc1ccc(CNC2=CCC3C(=C2)[C@@H]2c4cc(NCc5ccc(Br)cc5)ccc4C[C@@H]3N3CCC[C@@H]23)cc1
    InChI
    InChI=1S/C33H33Br2N3/c34-24-8-3-21(4-9-24)19-36-26-12-7-23-16-32-28-14-13-27(37-20-22-5-10-25(35)11-6-22)18-30(28)33(29(23)17-26)31-2-1-15-38(31)32/h3-13,17-18,28,31-33,36-37H,1-2,14-16,19-20H2/t28?,31-,32-,33-/m0/s1
    MOLECULAR FORMULA
    C33H33Br2N3
    CROSS REFERENCES
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    canSAR782366

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 629.10
    AlogP 7.93
    HBond donors 2
    HBond acceptors 3
    Atoms 71
    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 canSAR782366.