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canSAR1768220
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NAMES
    SMILES
    COc1ccc(CCOC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1
    InChI
    InChI=1S/C41H41N7O7S/c1-25(2)37(46-41(50)55-23-32-30-13-7-5-11-28(30)29-12-6-8-14-31(29)32)40(49)54-20-19-26-17-18-27(53-4)21-35(26)45-38-39(44-34-16-10-9-15-33(34)43-38)47-56(51,52)36-22-48(3)24-42-36/h5-18,21-22,24-25,32,37H,19-20,23H2,1-4H3,(H,43,45)(H,44,47)(H,46,50)/t37-/m0/s1
    MOLECULAR FORMULA
    C41H41N7O7S
    CROSS REFERENCES
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    canSAR1768220

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 775.28
    AlogP 6.57
    HBond donors 3
    HBond acceptors 14
    Atoms 97
    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 canSAR1768220.