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canSAR1989028
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NAMES
    SMILES
    CCCC(=O)N1CC2(C1)CN(Cc1ccccc1F)[C@H](CO)c1c2c2ccc(OC)cc2n1C
    InChI
    InChI=1S/C27H32FN3O3/c1-4-7-24(33)31-16-27(17-31)15-30(13-18-8-5-6-9-21(18)28)23(14-32)26-25(27)20-11-10-19(34-3)12-22(20)29(26)2/h5-6,8-12,23,32H,4,7,13-17H2,1-3H3/t23-/m1/s1
    MOLECULAR FORMULA
    C27H32FN3O3
    CROSS REFERENCES
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    canSAR1989028

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 465.24
    AlogP 3.76
    HBond donors 1
    HBond acceptors 6
    Atoms 66
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1989028.