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canSAR745924
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NAMES
    SMILES
    NCCCCN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C25H30N2O.C2HF3O2/c26-17-7-8-18-27(19-22-9-3-1-4-10-22)20-23-13-15-25(16-14-23)28-21-24-11-5-2-6-12-24;3-2(4,5)1(6)7/h1-6,9-16H,7-8,17-21,26H2;(H,6,7)
    MOLECULAR FORMULA
    C27H31F3N2O3
    CROSS REFERENCES
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    canSAR745924

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.23
    AlogP 5.64
    HBond donors 3
    HBond acceptors 5
    Atoms 66
    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 canSAR745924.