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canSAR1020352
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NAMES
    SMILES
    CC(C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(Br)c1
    InChI
    InChI=1S/C21H27BrN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)
    MOLECULAR FORMULA
    C21H27BrN2O3S
    CROSS REFERENCES
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    canSAR1020352

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.09
    AlogP 4.54
    HBond donors 2
    HBond acceptors 5
    Atoms 55
    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 canSAR1020352.