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canSAR926966
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NAMES
    SMILES
    N#Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(CC(O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1
    InChI
    InChI=1S/C31H28F3N7O2/c32-24-6-8-26(27(33)15-24)31(43,19-41-21-36-20-37-41)18-39-11-13-40(14-12-39)29-9-7-25(16-28(29)34)38-30(42)10-5-22-1-3-23(17-35)4-2-22/h1-10,15-16,20-21,43H,11-14,18-19H2,(H,38,42)/b10-5+
    MOLECULAR FORMULA
    C31H28F3N7O2
    CROSS REFERENCES
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    canSAR926966

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.23
    AlogP 3.93
    HBond donors 2
    HBond acceptors 9
    Atoms 71
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR926966.