canSAR1085544
FEATURES
Loading...
NAMES
    SMILES
    O=C1/C(=C/c2ccccc2)SC(=S)N1CCNc1ccnc2cc(Cl)ccc12
    InChI
    InChI=1S/C21H16ClN3OS2/c22-15-6-7-16-17(8-9-23-18(16)13-15)24-10-11-25-20(26)19(28-21(25)27)12-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,24)/b19-12-
    MOLECULAR FORMULA
    C21H16ClN3OS2
    CROSS REFERENCES
    Loading...
    canSAR1085544
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight425.04
    AlogP5.20
    HBond donors1
    HBond acceptors4
    Atoms44
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1085544.