992960 logo
canSAR992960
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(C)cc3)s2)cc1
    InChI
    InChI=1S/C19H17N3O2S/c1-13-3-5-14(6-4-13)7-12-17(23)20-19-22-21-18(25-19)15-8-10-16(24-2)11-9-15/h3-12H,1-2H3,(H,20,22,23)/b12-7+
    MOLECULAR FORMULA
    C19H17N3O2S
    CROSS REFERENCES
    992960 logo

    canSAR992960

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 351.10
    AlogP 4.17
    HBond donors 1
    HBond acceptors 5
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR992960.