2016680 logo
canSAR2016680
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=CCOC(O)=C1C(C)=NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)C1c1ccco1
    InChI
    InChI=1S/C24H22ClN3O4S/c1-4-9-32-24(30)21-15(3)27-23(17(12-26)22(21)19-6-5-10-31-19)33-13-20(29)28-16-8-7-14(2)18(25)11-16/h4-8,10-11,22,30H,1,9,13H2,2-3H3,(H,28,29)
    MOLECULAR FORMULA
    C24H22ClN3O4S
    CROSS REFERENCES
    2016680 logo

    canSAR2016680

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.10
    AlogP 5.88
    HBond donors 2
    HBond acceptors 7
    Atoms 55
    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 canSAR2016680.