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canSAR831231
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NAMES
    SMILES
    C=C(C)[C@]12C[C@@H](C)[C@@]3(OCc4ccccc4)[C@@H](C=C(COC(=O)c4cc(OC)c(O)cc4I)C[C@]4(O)C(=O)C(C)=C[C@H]43)[C@H]1OCO2
    InChI
    InChI=1S/C36H39IO9/c1-20(2)35-15-22(4)36(45-18-23-9-7-6-8-10-23)26(32(35)44-19-46-35)12-24(16-34(41)30(36)11-21(3)31(34)39)17-43-33(40)25-13-29(42-5)28(38)14-27(25)37/h6-14,22,26,30,32,38,41H,1,15-19H2,2-5H3/t22-,26+,30-,32-,34-,35-,36-/m1/s1
    MOLECULAR FORMULA
    C36H39IO9
    CROSS REFERENCES
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    canSAR831231

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 742.16
    AlogP 5.67
    HBond donors 2
    HBond acceptors 9
    Atoms 85
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831231.