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canSAR466815
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NAMES
    SMILES
    N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3cccc(F)c3)CC1)CC2
    InChI
    InChI=1S/C28H32FN3O/c29-26-3-1-2-22(19-26)7-11-28(33)31-27-9-5-21(6-10-27)12-15-32-16-13-24-8-4-23(20-30)18-25(24)14-17-32/h1-4,7-8,11,18-19,21,27H,5-6,9-10,12-17H2,(H,31,33)/b11-7+/t21-,27-
    MOLECULAR FORMULA
    C28H32FN3O
    CROSS REFERENCES
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    canSAR466815

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.25
    AlogP 4.88
    HBond donors 1
    HBond acceptors 4
    Atoms 65
    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 canSAR466815.