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canSAR1490829
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NAMES
    SMILES
    Nc1nccc(-c2nc(C3CC3)[nH]c2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2Cl)n1
    InChI
    InChI=1S/C22H17ClF2N6O2S/c23-17-12(3-1-6-15(17)31-34(32,33)20-13(24)4-2-5-14(20)25)18-19(16-9-10-27-22(26)28-16)30-21(29-18)11-7-8-11/h1-6,9-11,31H,7-8H2,(H,29,30)(H2,26,27,28)
    MOLECULAR FORMULA
    C22H17ClF2N6O2S
    CROSS REFERENCES
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    canSAR1490829

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.08
    AlogP 4.73
    HBond donors 4
    HBond acceptors 8
    Atoms 51
    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 canSAR1490829.