1433958 logo
canSAR1433958
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
    InChI
    InChI=1S/C19H21N3O6S/c1-27-16-7-5-14(6-8-16)18(23)20-21-19(24)15-3-2-4-17(13-15)29(25,26)22-9-11-28-12-10-22/h2-8,13H,9-12H2,1H3,(H,20,23)(H,21,24)
    MOLECULAR FORMULA
    C19H21N3O6S
    CROSS REFERENCES
    1433958 logo

    canSAR1433958

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.12
    AlogP 0.79
    HBond donors 2
    HBond acceptors 9
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1433958.