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canSAR781727
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O
    InChI
    InChI=1S/C33H39IN2O5/c1-33(2,3)41-32(40)35-27(18-21-9-5-4-6-10-21)28(37)20-24(17-22-13-15-25(34)16-14-22)31(39)36-30-26-12-8-7-11-23(26)19-29(30)38/h4-16,24,27-30,37-38H,17-20H2,1-3H3,(H,35,40)(H,36,39)/t24-,27+,28+,29-,30-/m1/s1
    MOLECULAR FORMULA
    C33H39IN2O5
    CROSS REFERENCES
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    canSAR781727

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 670.19
    AlogP 5.11
    HBond donors 4
    HBond acceptors 7
    Atoms 80
    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 canSAR781727.