1992331 logo
canSAR1992331
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)c1ccc(OC/C(=N\NC(N)=S)c2ccc(Br)cc2)cc1
    InChI
    InChI=1S/C18H20BrN3OS/c1-12(2)13-5-9-16(10-6-13)23-11-17(21-22-18(20)24)14-3-7-15(19)8-4-14/h3-10,12H,11H2,1-2H3,(H3,20,22,24)/b21-17+
    MOLECULAR FORMULA
    C18H20BrN3OS
    CROSS REFERENCES
    1992331 logo

    canSAR1992331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 405.05
    AlogP 4.19
    HBond donors 3
    HBond acceptors 4
    Atoms 44
    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 canSAR1992331.