canSAR2080308
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)[C@@H](O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccc(CCl)cc4)c4ccccc4)CC([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
    InChI
    InChI=1S/C46H52ClNO12/c1-24-31(58-43(56)37(52)35(27-12-8-6-9-13-27)48-41(54)28-18-16-26(22-47)17-19-28)20-30-38(59-42(55)29-14-10-7-11-15-29)39-45(5,40(53)36(51)34(24)44(30,3)4)32(50)21-33-46(39,23-57-33)60-25(2)49/h6-19,30-33,35-40,50-53H,20-23H2,1-5H3,(H,48,54)/t30?,31-,32-,33+,35-,36+,37+,38+,39-,40-,45+,46-/m0/s1
    MOLECULAR FORMULA
    C46H52ClNO12
    CROSS REFERENCES
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    canSAR2080308
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight845.32
    AlogP4.58
    HBond donors5
    HBond acceptors13
    Atoms112
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080308.