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canSAR1124707
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NAMES
    SMILES
    O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(CC2CC2)nn1-c1ccccc1
    InChI
    InChI=1S/C21H19F3N4O/c22-21(23,24)15-5-4-6-16(12-15)25-20(29)26-19-13-17(11-14-9-10-14)27-28(19)18-7-2-1-3-8-18/h1-8,12-14H,9-11H2,(H2,25,26,29)
    MOLECULAR FORMULA
    C21H19F3N4O
    CROSS REFERENCES
    1124707 logo

    canSAR1124707

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.15
    AlogP 5.49
    HBond donors 2
    HBond acceptors 5
    Atoms 48
    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 canSAR1124707.