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canSAR1432325
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NAMES
    SMILES
    COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)NC1c1cccc(Br)c1
    InChI
    InChI=1S/C20H18BrFN2O2S/c1-12-17(19(25)26-2)18(14-4-3-5-15(21)10-14)23-20(27)24(12)11-13-6-8-16(22)9-7-13/h3-10,18H,11H2,1-2H3,(H,23,27)
    MOLECULAR FORMULA
    C20H18BrFN2O2S
    CROSS REFERENCES
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    canSAR1432325

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.03
    AlogP 4.47
    HBond donors 1
    HBond acceptors 4
    Atoms 45
    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 canSAR1432325.