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canSAR1597257
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NAMES
    SMILES
    O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncc(CC(O)CO)cc2Cl)CC1
    InChI
    InChI=1S/C21H21ClF3N3O3/c22-18-10-13(9-17(30)12-29)11-26-19(18)14-5-7-28(8-6-14)20(31)27-16-3-1-15(2-4-16)21(23,24)25/h1-5,10-11,17,29-30H,6-9,12H2,(H,27,31)
    MOLECULAR FORMULA
    C21H21ClF3N3O3
    CROSS REFERENCES
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    canSAR1597257

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.12
    AlogP 3.97
    HBond donors 3
    HBond acceptors 6
    Atoms 52
    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 canSAR1597257.