canSAR2255287
FEATURES
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NAMES
    SMILES
    Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC3CCN(Cc4ccc(S(N)(=O)=O)cc4)CC3)[nH]c3ccc(Br)cc23)c1
    InChI
    InChI=1S/C29H31BrN4O5S2/c1-18-13-19(2)15-24(14-18)40(36,37)28-25-16-21(30)5-8-26(25)33-27(28)29(35)32-22-9-11-34(12-10-22)17-20-3-6-23(7-4-20)41(31,38)39/h3-8,13-16,22,33H,9-12,17H2,1-2H3,(H,32,35)(H2,31,38,39)
    MOLECULAR FORMULA
    C29H31BrN4O5S2
    CROSS REFERENCES
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    canSAR2255287
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight658.09
    AlogP4.42
    HBond donors4
    HBond acceptors9
    Atoms72
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2255287.