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canSAR1110125
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NAMES
    SMILES
    N#Cc1ccc(CN2CCc3c(sc(NC(=O)c4cc(S(=O)(=O)N5CCOCC5)c(Cl)cc4Cl)c3C#N)C2)cc1
    InChI
    InChI=1S/C27H23Cl2N5O4S2/c28-22-12-23(29)25(40(36,37)34-7-9-38-10-8-34)11-20(22)26(35)32-27-21(14-31)19-5-6-33(16-24(19)39-27)15-18-3-1-17(13-30)2-4-18/h1-4,11-12H,5-10,15-16H2,(H,32,35)
    MOLECULAR FORMULA
    C27H23Cl2N5O4S2
    CROSS REFERENCES
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    canSAR1110125

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 615.06
    AlogP 4.63
    HBond donors 1
    HBond acceptors 9
    Atoms 63
    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 canSAR1110125.