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canSAR1769886
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NAMES
    SMILES
    CN1CCC2(CC1)CN(c1ccccc1F)c1cc(Cl)ccc12.O=C(O)/C=C\C(=O)O
    InChI
    InChI=1S/C19H20ClFN2.C4H4O4/c1-22-10-8-19(9-11-22)13-23(17-5-3-2-4-16(17)21)18-12-14(20)6-7-15(18)19;5-3(6)1-2-4(7)8/h2-7,12H,8-11,13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
    MOLECULAR FORMULA
    C23H24ClFN2O4
    CROSS REFERENCES
    1769886 logo

    canSAR1769886

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.14
    AlogP 4.31
    HBond donors 2
    HBond acceptors 6
    Atoms 55
    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 canSAR1769886.