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canSAR830585
FEATURES
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NAMES
    SMILES
    C[C@H](C[C@H](OC(=O)c1ccccc1I)[C@@H](OC(=O)c1ccccc1I)C(C)(C)OC(=O)c1ccccc1I)C1=C2C[C@H](OC(=O)c3ccccc3I)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
    InChI
    InChI=1S/C58H62I4O9/c1-33(34-25-29-57(7)39(34)32-44(68-50(64)35-17-9-13-21-40(35)59)48-56(6)28-27-47(63)54(2,3)46(56)26-30-58(48,57)8)31-45(69-51(65)36-18-10-14-22-41(36)60)49(70-52(66)37-19-11-15-23-42(37)61)55(4,5)71-53(67)38-20-12-16-24-43(38)62/h9-24,33,44-46,48-49H,25-32H2,1-8H3/t33-,44+,45+,46+,48+,49-,56+,57+,58+/m1/s1
    MOLECULAR FORMULA
    C58H62I4O9
    CROSS REFERENCES
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    canSAR830585

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1410.06
    AlogP 14.67
    HBond donors 0
    HBond acceptors 9
    Atoms 133
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR830585.