1152145 logo
canSAR1152145
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1ccc(C2SCCC(=O)N2CCCNc2ccnc3cc(Cl)ccc23)s1
    InChI
    InChI=1S/C21H22ClN3OS2/c1-14-3-6-19(28-14)21-25(20(26)8-12-27-21)11-2-9-23-17-7-10-24-18-13-15(22)4-5-16(17)18/h3-7,10,13,21H,2,8-9,11-12H2,1H3,(H,23,24)
    MOLECULAR FORMULA
    C21H22ClN3OS2
    CROSS REFERENCES
    1152145 logo

    canSAR1152145

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.09
    AlogP 5.72
    HBond donors 1
    HBond acceptors 4
    Atoms 50
    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 canSAR1152145.