1094200 logo
canSAR1094200
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN1C(=O)C2(CC(C)(C)Sc3ccc(-c4cccc(C#N)c4)cc32)N=C1N
    InChI
    InChI=1S/C21H20N4OS/c1-20(2)12-21(18(26)25(3)19(23)24-21)16-10-15(7-8-17(16)27-20)14-6-4-5-13(9-14)11-22/h4-10H,12H2,1-3H3,(H2,23,24)
    MOLECULAR FORMULA
    C21H20N4OS
    CROSS REFERENCES
    1094200 logo

    canSAR1094200

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 376.14
    AlogP 3.48
    HBond donors 2
    HBond acceptors 5
    Atoms 47
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1094200.