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canSAR1826386
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NAMES
    SMILES
    CC(C)(/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CC(O)C1
    InChI
    InChI=1S/C32H33FN8O3/c1-32(2,40-17-22(42)18-40)14-20(15-34)31(43)39-12-6-7-21(16-39)41-30-27(29(35)36-19-37-30)28(38-41)25-11-10-24(13-26(25)33)44-23-8-4-3-5-9-23/h3-5,8-11,13-14,19,21-22,42H,6-7,12,16-18H2,1-2H3,(H2,35,36,37)/b20-14+/t21-/m1/s1
    MOLECULAR FORMULA
    C32H33FN8O3
    CROSS REFERENCES
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    canSAR1826386

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 596.27
    AlogP 4.08
    HBond donors 3
    HBond acceptors 11
    Atoms 77
    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 canSAR1826386.