731278 logo
canSAR731278
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S
    InChI
    InChI=1S/C20H17Cl2NO4S2/c21-14-7-5-12(10-15(14)22)16-8-6-13(27-16)11-17-19(26)23(20(28)29-17)9-3-1-2-4-18(24)25/h5-8,10-11H,1-4,9H2,(H,24,25)/b17-11-
    MOLECULAR FORMULA
    C20H17Cl2NO4S2
    CROSS REFERENCES
    731278 logo

    canSAR731278

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.00
    AlogP 6.10
    HBond donors 1
    HBond acceptors 5
    Atoms 46
    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 canSAR731278.