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canSAR1142081
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NAMES
    SMILES
    COc1ccc(C2CCc3c(sc(NC(=O)c4cc(S(=O)(=O)N5CCOCC5)c(Cl)cc4Cl)c3C#N)C2)cc1
    InChI
    InChI=1S/C27H25Cl2N3O5S2/c1-36-18-5-2-16(3-6-18)17-4-7-19-21(15-30)27(38-24(19)12-17)31-26(33)20-13-25(23(29)14-22(20)28)39(34,35)32-8-10-37-11-9-32/h2-3,5-6,13-14,17H,4,7-12H2,1H3,(H,31,33)
    MOLECULAR FORMULA
    C27H25Cl2N3O5S2
    CROSS REFERENCES
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    canSAR1142081

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 605.06
    AlogP 5.48
    HBond donors 1
    HBond acceptors 8
    Atoms 64
    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 canSAR1142081.