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canSAR778093
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NAMES
    SMILES
    C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1cc(OC)c(O)cc1I)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2
    InChI
    InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-24(17-34(42)30(37)11-21(3)32(34)41)19-44-31(40)14-25-13-29(43-5)28(39)15-27(25)38/h6-13,15,22,26,30,33,39,42H,1,14,16-19H2,2-5H3/t22-,26+,30-,33-,34-,35-,36-,37-/m1/s1
    MOLECULAR FORMULA
    C37H39IO9
    CROSS REFERENCES
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    canSAR778093

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 754.16
    AlogP 5.35
    HBond donors 2
    HBond acceptors 9
    Atoms 86
    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 canSAR778093.