1494336 logo
canSAR1494336
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(/N=N/N(C)C)ccc12.Cl
    InChI
    InChI=1S/C23H24N6O3S.ClH/c1-29(2)28-26-15-9-11-18-21(13-15)24-19-8-6-5-7-17(19)23(18)25-20-12-10-16(14-22(20)32-3)27-33(4,30)31;/h5-14,27H,1-4H3,(H,24,25);1H/b28-26+;
    MOLECULAR FORMULA
    C23H25ClN6O3S
    CROSS REFERENCES
    1494336 logo

    canSAR1494336

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 500.14
    AlogP 5.49
    HBond donors 2
    HBond acceptors 9
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1494336.