1102730 logo
canSAR1102730
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)(C)n1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N
    InChI
    InChI=1S/C22H19ClN6O3S2/c1-22(2,3)29-18(8-9-26-29)17-11-15(23)4-6-20(17)32-19-7-5-16(10-14(19)12-24)34(30,31)28-21-25-13-27-33-21/h4-11,13H,1-3H3,(H,25,27,28)
    MOLECULAR FORMULA
    C22H19ClN6O3S2
    CROSS REFERENCES
    1102730 logo

    canSAR1102730

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.06
    AlogP 5.27
    HBond donors 1
    HBond acceptors 9
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1102730.