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canSAR1086007
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NAMES
    SMILES
    O[C@H](COc1ccc(C(F)(F)F)cc1)CN1CCN(Cc2cccc(Cl)c2)CC1
    InChI
    InChI=1S/C21H24ClF3N2O2/c22-18-3-1-2-16(12-18)13-26-8-10-27(11-9-26)14-19(28)15-29-20-6-4-17(5-7-20)21(23,24)25/h1-7,12,19,28H,8-11,13-15H2/t19-/m0/s1
    MOLECULAR FORMULA
    C21H24ClF3N2O2
    CROSS REFERENCES
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    canSAR1086007

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.15
    AlogP 3.92
    HBond donors 1
    HBond acceptors 4
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1086007.