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canSAR78212
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NAMES
    SMILES
    COc1ccccc1Cn1c(Nc2ccc(S(N)(=O)=O)cc2)nc2cc(C(N)=O)ccc21
    InChI
    InChI=1S/C22H21N5O4S/c1-31-20-5-3-2-4-15(20)13-27-19-11-6-14(21(23)28)12-18(19)26-22(27)25-16-7-9-17(10-8-16)32(24,29)30/h2-12H,13H2,1H3,(H2,23,28)(H,25,26)(H2,24,29,30)
    MOLECULAR FORMULA
    C22H21N5O4S
    CROSS REFERENCES
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    canSAR78212

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.13
    AlogP 2.58
    HBond donors 5
    HBond acceptors 9
    Atoms 53
    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 canSAR78212.