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canSAR740918
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NAMES
    SMILES
    COC(=O)C(CCCS(=O)(=O)c1nnnn1-c1ccccc1)(Cc1ccc(NS(=O)(=O)O)cc1)C(=O)OC
    InChI
    InChI=1S/C22H25N5O9S2/c1-35-19(28)22(20(29)36-2,15-16-9-11-17(12-10-16)24-38(32,33)34)13-6-14-37(30,31)21-23-25-26-27(21)18-7-4-3-5-8-18/h3-5,7-12,24H,6,13-15H2,1-2H3,(H,32,33,34)
    MOLECULAR FORMULA
    C22H25N5O9S2
    CROSS REFERENCES
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    canSAR740918

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 567.11
    AlogP 1.01
    HBond donors 2
    HBond acceptors 14
    Atoms 63
    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 canSAR740918.