829871 logo
canSAR829871
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1ccccc1Br
    InChI
    InChI=1S/C26H18BrCl2I2NO4/c27-19-4-2-1-3-14(19)6-8-23(33)32-12-18-16(10-22(32)26(34)35)9-21(30)25(24(18)31)36-13-15-5-7-17(28)11-20(15)29/h1-9,11,22H,10,12-13H2,(H,34,35)/b8-6+/t22-/m0/s1
    MOLECULAR FORMULA
    C26H18BrCl2I2NO4
    CROSS REFERENCES
    829871 logo

    canSAR829871

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 810.79
    AlogP 7.60
    HBond donors 1
    HBond acceptors 5
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR829871.