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canSAR643235
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NAMES
    SMILES
    C=CCc1cccc(/C=N\N/C(N)=N/O)c1O.Cc1ccc(S(=O)(=O)O)cc1
    InChI
    InChI=1S/C11H14N4O2.C7H8O3S/c1-2-4-8-5-3-6-9(10(8)16)7-13-14-11(12)15-17;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,5-7,16-17H,1,4H2,(H3,12,14,15);2-5H,1H3,(H,8,9,10)/b13-7-;
    MOLECULAR FORMULA
    C18H22N4O5S
    CROSS REFERENCES
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    canSAR643235

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.13
    AlogP 1.99
    HBond donors 6
    HBond acceptors 9
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR643235.