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canSAR1124801
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NAMES
    SMILES
    O=C1/C(=C\c2ccc(Cl)cc2)SC2(CCCCC2)N1c1ccc(Br)cc1
    InChI
    InChI=1S/C21H19BrClNOS/c22-16-6-10-18(11-7-16)24-20(25)19(14-15-4-8-17(23)9-5-15)26-21(24)12-2-1-3-13-21/h4-11,14H,1-3,12-13H2/b19-14+
    MOLECULAR FORMULA
    C21H19BrClNOS
    CROSS REFERENCES
    1124801 logo

    canSAR1124801

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.01
    AlogP 6.88
    HBond donors 0
    HBond acceptors 2
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1124801.