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canSAR500264
FEATURES
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NAMES
    SMILES
    O=C(NO)[C@@H]1CC[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2I)cc1
    InChI
    InChI=1S/C19H21IN2O6S/c20-17-4-2-1-3-13(17)12-28-15-6-8-16(9-7-15)29(26,27)22-11-14(23)5-10-18(22)19(24)21-25/h1-4,6-9,14,18,23,25H,5,10-12H2,(H,21,24)/t14-,18-/m0/s1
    MOLECULAR FORMULA
    C19H21IN2O6S
    CROSS REFERENCES
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    canSAR500264

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.02
    AlogP 1.89
    HBond donors 3
    HBond acceptors 8
    Atoms 50
    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 canSAR500264.