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canSAR1503439
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NAMES
    SMILES
    Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1
    InChI
    InChI=1S/C28H28BrN3OS/c1-19-17-21(20(2)31(19)25-15-13-22(29)14-16-25)18-26-27(33)32(24-11-7-4-8-12-24)28(34-26)30-23-9-5-3-6-10-23/h3,5-6,9-10,13-18,24H,4,7-8,11-12H2,1-2H3/b26-18-,30-28-
    MOLECULAR FORMULA
    C28H28BrN3OS
    CROSS REFERENCES
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    canSAR1503439

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 533.11
    AlogP 7.79
    HBond donors 0
    HBond acceptors 4
    Atoms 62
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503439.