canSAR823781
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
    InChI
    InChI=1S/C35H44N2O8/c1-22(2)18-30-33(42)44-29(23(3)14-15-24-10-7-6-8-11-24)12-9-13-31(40)37-26(19-25-16-17-27(38)28(39)20-25)32(41)36-21-35(4,5)34(43)45-30/h6-11,13-17,20,22-23,26,29-30,38-39H,12,18-19,21H2,1-5H3,(H,36,41)(H,37,40)/b13-9+,15-14+/t23-,26-,29+,30+/m1/s1
    MOLECULAR FORMULA
    C35H44N2O8
    CROSS REFERENCES
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    canSAR823781
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight620.31
    AlogP4.45
    HBond donors4
    HBond acceptors10
    Atoms89
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823781.