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canSAR2091288
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NAMES
    SMILES
    O=C(NCC1CC1)[C@@H]1C[C@@H]2OCCN[C@@H]2C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C12H20N2O2.C2HF3O2/c15-12(14-7-8-1-2-8)9-5-10-11(6-9)16-4-3-13-10;3-2(4,5)1(6)7/h8-11,13H,1-7H2,(H,14,15);(H,6,7)/t9-,10+,11-;/m0./s1
    MOLECULAR FORMULA
    C14H21F3N2O4
    CROSS REFERENCES
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    canSAR2091288

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 338.15
    AlogP 0.91
    HBond donors 3
    HBond acceptors 6
    Atoms 44
    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 canSAR2091288.