canSAR823940
FEATURES
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NAMES
    SMILES
    COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](c3ccccc3)NC2=O)cc1Cl
    InChI
    InChI=1S/C40H45ClN2O8/c1-24(2)20-34-40(47)50-32(25(3)37-38(51-37)28-14-9-6-10-15-28)16-11-17-35(44)42-31(22-26-18-19-33(48-4)29(41)21-26)39(46)43-30(23-36(45)49-34)27-12-7-5-8-13-27/h5-15,17-19,21,24-25,30-32,34,37-38H,16,20,22-23H2,1-4H3,(H,42,44)(H,43,46)/b17-11+/t25-,30-,31+,32-,34-,37+,38+/m0/s1
    MOLECULAR FORMULA
    C40H45ClN2O8
    CROSS REFERENCES
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    canSAR823940
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight716.29
    AlogP6.23
    HBond donors2
    HBond acceptors10
    Atoms96
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823940.