198861 logo
canSAR198861
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CC(=O)O)C3=O)c3ccccc32)c1
    InChI
    InChI=1S/C22H17N3O5S2/c1-12-5-4-6-13(9-12)23-16(26)10-24-15-8-3-2-7-14(15)18(20(24)29)19-21(30)25(11-17(27)28)22(31)32-19/h2-9H,10-11H2,1H3,(H,23,26)(H,27,28)/b19-18-
    MOLECULAR FORMULA
    C22H17N3O5S2
    CROSS REFERENCES
    198861 logo

    canSAR198861

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.06
    AlogP 2.64
    HBond donors 2
    HBond acceptors 8
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR198861.