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canSAR2086542
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NAMES
    SMILES
    COc1ccccc1CN1CC[C@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H28N2O4.C2HF3O2/c1-20(2)18(22)13-24-16-10-19(25-12-16)8-9-21(14-19)11-15-6-4-5-7-17(15)23-3;3-2(4,5)1(6)7/h4-7,16H,8-14H2,1-3H3;(H,6,7)/t16-,19+;/m1./s1
    MOLECULAR FORMULA
    C21H29F3N2O6
    CROSS REFERENCES
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    canSAR2086542

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.20
    AlogP 2.17
    HBond donors 1
    HBond acceptors 8
    Atoms 61
    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 canSAR2086542.