1514137 logo
canSAR1514137
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2C#N)s1
    InChI
    InChI=1S/C25H21N5O2S2/c1-3-23-29-30-25(34-23)28-22(31)15-33-24-20(14-26)19(16-9-11-18(32-2)12-10-16)13-21(27-24)17-7-5-4-6-8-17/h4-13H,3,15H2,1-2H3,(H,28,30,31)
    MOLECULAR FORMULA
    C25H21N5O2S2
    CROSS REFERENCES
    1514137 logo

    canSAR1514137

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 487.11
    AlogP 5.44
    HBond donors 1
    HBond acceptors 7
    Atoms 55
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1514137.