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canSAR1405629
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NAMES
    SMILES
    CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(C)O)c3F)C2)cc1
    InChI
    InChI=1S/C22H28FN3O4/c1-14(27)13-29-22-21(23)20(8-10-24-22)26-11-9-19(12-26)30-18-6-4-17(5-7-18)15(2)25-16(3)28/h4-8,10,14-15,19,27H,9,11-13H2,1-3H3,(H,25,28)/t14?,15-,19+/m0/s1
    MOLECULAR FORMULA
    C22H28FN3O4
    CROSS REFERENCES
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    canSAR1405629

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.21
    AlogP 2.84
    HBond donors 2
    HBond acceptors 7
    Atoms 58
    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 canSAR1405629.