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canSAR1059951
FEATURES
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NAMES
    SMILES
    O=C1NC(=O)C(=Cc2ccc(OC3CCN(c4ncccc4C(F)(F)F)CC3)cc2)C(=O)N1
    InChI
    InChI=1S/C22H19F3N4O4/c23-22(24,25)17-2-1-9-26-18(17)29-10-7-15(8-11-29)33-14-5-3-13(4-6-14)12-16-19(30)27-21(32)28-20(16)31/h1-6,9,12,15H,7-8,10-11H2,(H2,27,28,30,31,32)
    MOLECULAR FORMULA
    C22H19F3N4O4
    CROSS REFERENCES
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    canSAR1059951

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.14
    AlogP 2.90
    HBond donors 2
    HBond acceptors 8
    Atoms 52
    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 canSAR1059951.