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canSAR831906
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NAMES
    SMILES
    Cc1cc(O)c(Cc2ccc(O)nc2)cc1Oc1c(I)cc(C[C@H](N)C(=O)O)cc1I
    InChI
    InChI=1S/C22H20I2N2O5/c1-11-4-18(27)14(5-12-2-3-20(28)26-10-12)9-19(11)31-21-15(23)6-13(7-16(21)24)8-17(25)22(29)30/h2-4,6-7,9-10,17,27H,5,8,25H2,1H3,(H,26,28)(H,29,30)/t17-/m0/s1
    MOLECULAR FORMULA
    C22H20I2N2O5
    CROSS REFERENCES
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    canSAR831906

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 645.95
    AlogP 4.35
    HBond donors 5
    HBond acceptors 7
    Atoms 51
    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 canSAR831906.