canSAR1846787
FEATURES
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NAMES
    SMILES
    COCCNC(=O)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@@H](CCO)N(S(=O)C(C)(C)C)C2
    InChI
    InChI=1S/C31H35N3O5S/c1-31(2,3)40(37)34-19-23-17-24(30(36)32-13-15-38-4)33-29(28(23)25(34)12-14-35)22-10-7-9-20(16-22)27-18-21-8-5-6-11-26(21)39-27/h5-11,16-18,25,35H,12-15,19H2,1-4H3,(H,32,36)/t25-,40?/m1/s1
    MOLECULAR FORMULA
    C31H35N3O5S
    CROSS REFERENCES
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    canSAR1846787
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight561.23
    AlogP5.24
    HBond donors2
    HBond acceptors8
    Atoms75
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846787.