canSAR820097
FEATURES
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NAMES
    SMILES
    COc1ccc(S(=O)(=O)NC(=O)c2ccccc2NC(=O)[C@@H]2C[C@@H](Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1
    InChI
    InChI=1S/C46H51N5O10S/c1-45(2,3)40(49-44(55)61-46(4,5)6)43(54)51-27-31(60-39-26-36(28-14-10-9-11-15-28)47-37-24-30(59-8)20-23-33(37)39)25-38(51)42(53)48-35-17-13-12-16-34(35)41(52)50-62(56,57)32-21-18-29(58-7)19-22-32/h9-24,26,31,38,40H,25,27H2,1-8H3,(H,48,53)(H,49,55)(H,50,52)/t31-,38+,40-/m1/s1
    MOLECULAR FORMULA
    C46H51N5O10S
    CROSS REFERENCES
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    canSAR820097
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight865.34
    AlogP6.96
    HBond donors3
    HBond acceptors15
    Atoms113
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR820097.