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canSAR2083965
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NAMES
    SMILES
    Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(C3CCC3)C2)n1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C14H21N3O2.C2HF3O2/c1-9-15-14(19-16-9)10-7-13-12(5-6-18-13)17(8-10)11-3-2-4-11;3-2(4,5)1(6)7/h10-13H,2-8H2,1H3;(H,6,7)/t10-,12+,13+;/m0./s1
    MOLECULAR FORMULA
    C16H22F3N3O4
    CROSS REFERENCES
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    canSAR2083965

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.16
    AlogP 2.51
    HBond donors 1
    HBond acceptors 7
    Atoms 48
    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 canSAR2083965.