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canSAR2003022
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NAMES
    SMILES
    COc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)n2)cc1
    InChI
    InChI=1S/C17H17N5O4S2/c1-26-13-7-5-11(6-8-13)16-20-17(22-21-16)27-10-15(23)19-12-3-2-4-14(9-12)28(18,24)25/h2-9H,10H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
    MOLECULAR FORMULA
    C17H17N5O4S2
    CROSS REFERENCES
    2003022 logo

    canSAR2003022

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.07
    AlogP 1.86
    HBond donors 4
    HBond acceptors 9
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2003022.