canSAR1089586
FEATURES
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NAMES
    SMILES
    CCCC(=O)/C(=N\Nc1cccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)O)c2-c2ccccc2)c1)C(=O)OCC
    InChI
    InChI=1S/C31H30N6O8S/c1-3-9-24(38)26(31(42)45-4-2)35-34-21-12-8-13-22(18-21)37-28(19-10-6-5-7-11-19)25(30(40)41)27(36-37)29(39)33-20-14-16-23(17-15-20)46(32,43)44/h5-8,10-18,34H,3-4,9H2,1-2H3,(H,33,39)(H,40,41)(H2,32,43,44)/b35-26+
    MOLECULAR FORMULA
    C31H30N6O8S
    CROSS REFERENCES
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    canSAR1089586
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight646.18
    AlogP3.84
    HBond donors5
    HBond acceptors14
    Atoms76
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1089586.