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canSAR1152048
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NAMES
    SMILES
    OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
    InChI
    InChI=1S/C25H25F3N4O/c26-25(27,28)19-7-3-15(4-8-19)14-1-5-18(6-2-14)24(13-22-29-31-32-30-22)20-9-16-10-21(24)12-17(11-20)23(16)33/h1-8,16-17,20-21,23,33H,9-13H2,(H,29,30,31,32)
    MOLECULAR FORMULA
    C25H25F3N4O
    CROSS REFERENCES
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    canSAR1152048

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.20
    AlogP 4.79
    HBond donors 2
    HBond acceptors 5
    Atoms 58
    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 canSAR1152048.