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canSAR2090978
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NAMES
    SMILES
    COc1ccc(CN2C[C@@H]3CN(Cc4ccoc4)C[C@@H]3C2=O)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H22N2O3.C2HF3O2/c1-23-17-4-2-14(3-5-17)9-21-11-16-10-20(12-18(16)19(21)22)8-15-6-7-24-13-15;3-2(4,5)1(6)7/h2-7,13,16,18H,8-12H2,1H3;(H,6,7)/t16-,18-;/m0./s1
    MOLECULAR FORMULA
    C21H23F3N2O5
    CROSS REFERENCES
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    canSAR2090978

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.16
    AlogP 3.01
    HBond donors 1
    HBond acceptors 7
    Atoms 54
    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 canSAR2090978.