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canSAR1591555
FEATURES
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)c2cccc(F)c2)Oc2ncc(Br)cc2C1=O
    InChI
    InChI=1S/C22H25BrFN3O4/c1-13-10-27(14(2)12-28)22(30)18-8-16(23)9-25-20(18)31-19(13)11-26(3)21(29)15-5-4-6-17(24)7-15/h4-9,13-14,19,28H,10-12H2,1-3H3/t13-,14+,19+/m1/s1
    MOLECULAR FORMULA
    C22H25BrFN3O4
    CROSS REFERENCES
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    canSAR1591555

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.10
    AlogP 2.98
    HBond donors 1
    HBond acceptors 7
    Atoms 56
    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 canSAR1591555.