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canSAR2089428
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NAMES
    SMILES
    CC(=O)N1C[C@H]2CCCN(Cc3ccc(C)o3)[C@H]2C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C15H22N2O2.C2HF3O2/c1-11-5-6-14(19-11)9-16-7-3-4-13-8-17(12(2)18)10-15(13)16;3-2(4,5)1(6)7/h5-6,13,15H,3-4,7-10H2,1-2H3;(H,6,7)/t13-,15+;/m1./s1
    MOLECULAR FORMULA
    C17H23F3N2O4
    CROSS REFERENCES
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    canSAR2089428

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 376.16
    AlogP 2.66
    HBond donors 1
    HBond acceptors 6
    Atoms 49
    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 canSAR2089428.