canSAR2159008
FEATURES
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NAMES
    SMILES
    COCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)n2)cc(OC)c1
    InChI
    InChI=1S/C39H46N6O9S/c1-39(2,3)25-20-32(36(51-6)33(21-25)45-55(7,47)48)43-38(46)42-31-12-13-34(30-11-9-8-10-29(30)31)54-35-14-15-40-37(44-35)41-26-22-27(50-5)24-28(23-26)53-19-18-52-17-16-49-4/h8-15,20-24,45H,16-19H2,1-7H3,(H,40,41,44)(H2,42,43,46)
    MOLECULAR FORMULA
    C39H46N6O9S
    CROSS REFERENCES
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    canSAR2159008
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight774.30
    AlogP7.54
    HBond donors4
    HBond acceptors15
    Atoms101
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2159008.