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canSAR842076
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NAMES
    SMILES
    C[C@@H]1CC[C@H]2[C@@H](C)C(Nc3ccc(I)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
    InChI
    InChI=1S/C21H28INO4/c1-12-4-9-17-13(2)18(23-15-7-5-14(22)6-8-15)24-19-21(17)16(12)10-11-20(3,25-19)26-27-21/h5-8,12-13,16-19,23H,4,9-11H2,1-3H3/t12-,13-,16+,17+,18?,19-,20-,21-/m1/s1
    MOLECULAR FORMULA
    C21H28INO4
    CROSS REFERENCES
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    canSAR842076

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.11
    AlogP 4.91
    HBond donors 1
    HBond acceptors 5
    Atoms 55
    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 canSAR842076.