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canSAR2090646
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(c1ccccc1)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1
    InChI
    InChI=1S/C21H24N2O3.C2HF3O2/c24-20(18-5-2-1-3-6-18)23-12-4-9-21(16-23)13-19(15-26-21)25-14-17-7-10-22-11-8-17;3-2(4,5)1(6)7/h1-3,5-8,10-11,19H,4,9,12-16H2;(H,6,7)/t19-,21+;/m1./s1
    MOLECULAR FORMULA
    C23H25F3N2O5
    CROSS REFERENCES
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    canSAR2090646

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.17
    AlogP 3.70
    HBond donors 1
    HBond acceptors 7
    Atoms 58
    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 canSAR2090646.