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canSAR671523
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NAMES
    SMILES
    O=C(CNC12CC3CC(CC(C3)C1)C2)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1
    InChI
    InChI=1S/C26H27F3N4O/c27-26(28,29)19-3-6-21-22(10-19)33-24(32-21)18-1-4-20(5-2-18)31-23(34)14-30-25-11-15-7-16(12-25)9-17(8-15)13-25/h1-6,10,15-17,30H,7-9,11-14H2,(H,31,34)(H,32,33)
    MOLECULAR FORMULA
    C26H27F3N4O
    CROSS REFERENCES
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    canSAR671523

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.21
    AlogP 5.75
    HBond donors 3
    HBond acceptors 5
    Atoms 61
    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 canSAR671523.