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canSAR782087
FEATURES
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NAMES
    SMILES
    NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NC(CCCCNC(=O)CCCc2ccc(I)cc2)C(=O)O)s1
    InChI
    InChI=1S/C22H29IN6O7S2/c23-15-9-7-14(8-10-15)4-3-6-17(30)25-13-2-1-5-16(20(33)34)26-18(31)11-12-19(32)27-21-28-29-22(37-21)38(24,35)36/h7-10,16H,1-6,11-13H2,(H,25,30)(H,26,31)(H,33,34)(H2,24,35,36)(H,27,28,32)
    MOLECULAR FORMULA
    C22H29IN6O7S2
    CROSS REFERENCES
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    canSAR782087

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 680.06
    AlogP 1.39
    HBond donors 6
    HBond acceptors 13
    Atoms 67
    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 canSAR782087.