1966881 logo
canSAR1966881
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1.Cl
    InChI
    InChI=1S/C22H21N3O2S.ClH/c1-2-15-28(26,27)25-17-13-11-16(12-14-17)23-22-18-7-3-5-9-20(18)24-21-10-6-4-8-19(21)22;/h3-14,25H,2,15H2,1H3,(H,23,24);1H
    MOLECULAR FORMULA
    C22H22ClN3O2S
    CROSS REFERENCES
    1966881 logo

    canSAR1966881

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.11
    AlogP 5.71
    HBond donors 2
    HBond acceptors 5
    Atoms 51
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1966881.