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canSAR1067139
FEATURES
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NAMES
    SMILES
    COc1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@H](CC(C)C)C(N)=O)cc1F
    InChI
    InChI=1S/C21H24ClFN2O3/c1-13(2)10-18(20(24)26)25(21(27)15-5-7-16(22)8-6-15)12-14-4-9-19(28-3)17(23)11-14/h4-9,11,13,18H,10,12H2,1-3H3,(H2,24,26)/t18-/m1/s1
    MOLECULAR FORMULA
    C21H24ClFN2O3
    CROSS REFERENCES
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    canSAR1067139

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.15
    AlogP 4.03
    HBond donors 2
    HBond acceptors 5
    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 canSAR1067139.