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canSAR2093957
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NAMES
    SMILES
    CO[C@@H]1CCN(C(=O)c2ccccn2)[C@H]1Cc1ccccc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H20N2O2.C2HF3O2/c1-22-17-10-12-20(18(21)15-9-5-6-11-19-15)16(17)13-14-7-3-2-4-8-14;3-2(4,5)1(6)7/h2-9,11,16-17H,10,12-13H2,1H3;(H,6,7)/t16-,17+;/m0./s1
    MOLECULAR FORMULA
    C20H21F3N2O4
    CROSS REFERENCES
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    canSAR2093957

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.15
    AlogP 3.19
    HBond donors 1
    HBond acceptors 6
    Atoms 50
    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 canSAR2093957.