canSAR1088855
FEATURES
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NAMES
    SMILES
    COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)c(C)c1
    InChI
    InChI=1S/C25H31N3O3S2/c1-16-12-21(8-9-22(16)25-11-6-19(4)32-25)33(29,30)27-23-13-20(7-10-24(23)31-5)28-14-17(2)26-18(3)15-28/h6-13,17-18,26-27H,14-15H2,1-5H3/t17-,18+
    MOLECULAR FORMULA
    C25H31N3O3S2
    CROSS REFERENCES
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    canSAR1088855
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight485.18
    AlogP5.03
    HBond donors2
    HBond acceptors6
    Atoms64
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1088855.