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canSAR740225
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NAMES
    SMILES
    O=C1NCc2cc(Br)cc(c2)CNC(=O)c2coc(n2)-c2coc(n2)-c2cc(OCCCN3C(=O)c4ccccc4C3=O)cc(n2)-c2nc(co2)-c2nc1co2
    InChI
    InChI=1S/C38H25BrN8O9/c39-21-9-19-8-20(10-21)14-41-32(49)28-16-54-36(44-28)30-18-56-34(46-30)26-12-22(52-7-3-6-47-37(50)23-4-1-2-5-24(23)38(47)51)11-25(42-26)33-45-29(17-55-33)35-43-27(15-53-35)31(48)40-13-19/h1-2,4-5,8-12,15-18H,3,6-7,13-14H2,(H,40,48)(H,41,49)
    MOLECULAR FORMULA
    C38H25BrN8O9
    CROSS REFERENCES
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    canSAR740225

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 816.09
    AlogP 5.70
    HBond donors 2
    HBond acceptors 17
    Atoms 81
    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 canSAR740225.