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canSAR504331
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NAMES
    SMILES
    Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2cccc3ccccc23)c1
    InChI
    InChI=1S/C21H22N4O4S/c1-15-12-17(28-11-5-10-24-25-21(22)23)14-18(13-15)29-30(26,27)20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-10,12-14H,5,11H2,1H3,(H4,22,23,25)/b24-10+
    MOLECULAR FORMULA
    C21H22N4O4S
    CROSS REFERENCES
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    canSAR504331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.14
    AlogP 2.94
    HBond donors 4
    HBond acceptors 8
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR504331.