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canSAR112482
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NAMES
    SMILES
    COC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)C(=O)c4c[nH]c5ccc(Br)cc45)CC3)c(F)c2)C(=O)O1
    InChI
    InChI=1S/C26H25BrFN5O6/c1-38-25(36)30-12-17-14-33(26(37)39-17)16-3-5-22(20(28)11-16)31-6-8-32(9-7-31)24(35)23(34)19-13-29-21-4-2-15(27)10-18(19)21/h2-5,10-11,13,17,29H,6-9,12,14H2,1H3,(H,30,36)/t17-/m0/s1
    MOLECULAR FORMULA
    C26H25BrFN5O6
    CROSS REFERENCES
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    canSAR112482

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 601.10
    AlogP 3.28
    HBond donors 2
    HBond acceptors 11
    Atoms 64
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR112482.