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canSAR1127488
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NAMES
    SMILES
    Cc1cc(C)c(C#N)c(Oc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)n1
    InChI
    InChI=1S/C20H16N4O5S/c1-13-10-14(2)22-20(19(13)12-21)29-17-5-3-4-15(11-17)23-30(27,28)18-8-6-16(7-9-18)24(25)26/h3-11,23H,1-2H3
    MOLECULAR FORMULA
    C20H16N4O5S
    CROSS REFERENCES
    1127488 logo

    canSAR1127488

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.08
    AlogP 4.07
    HBond donors 1
    HBond acceptors 9
    Atoms 46
    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 canSAR1127488.