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canSAR1726911
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NAMES
    SMILES
    Cc1ccc2[nH]c(SC(C)C(=O)Nc3cccc([N+](=O)[O-])c3)nc2c1
    InChI
    InChI=1S/C17H16N4O3S/c1-10-6-7-14-15(8-10)20-17(19-14)25-11(2)16(22)18-12-4-3-5-13(9-12)21(23)24/h3-9,11H,1-2H3,(H,18,22)(H,19,20)
    MOLECULAR FORMULA
    C17H16N4O3S
    CROSS REFERENCES
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    canSAR1726911

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 356.09
    AlogP 3.90
    HBond donors 2
    HBond acceptors 7
    Atoms 41
    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 canSAR1726911.