466246 logo
canSAR466246
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12
    InChI
    InChI=1S/C22H15Cl2IN4O5S2/c23-14-7-4-11(8-15(14)24)9-18(22(31)32)26-21(30)13-6-5-12(25)10-17(13)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1
    MOLECULAR FORMULA
    C22H15Cl2IN4O5S2
    CROSS REFERENCES
    466246 logo

    canSAR466246

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 675.89
    AlogP 4.83
    HBond donors 3
    HBond acceptors 9
    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 canSAR466246.