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canSAR1129738
FEATURES
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NAMES
    SMILES
    CC(=O)OC[C@H]1O[C@@H](S(=O)(=O)Cc2nnn(-c3ccccc3)c2I)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
    InChI
    InChI=1S/C23H26IN3O11S/c1-12(28)34-10-18-19(35-13(2)29)20(36-14(3)30)21(37-15(4)31)23(38-18)39(32,33)11-17-22(24)27(26-25-17)16-8-6-5-7-9-16/h5-9,18-21,23H,10-11H2,1-4H3/t18-,19-,20+,21-,23+/m1/s1
    MOLECULAR FORMULA
    C23H26IN3O11S
    CROSS REFERENCES
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    canSAR1129738

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 679.03
    AlogP 0.87
    HBond donors 0
    HBond acceptors 14
    Atoms 65
    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 canSAR1129738.