990181 logo
canSAR990181
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc([C@H](c2[se]nnc2-c2ccccc2)[C@@H]2CCCc3[se]nnc32)cc1
    InChI
    InChI=1S/C22H20N4OSe2/c1-27-16-12-10-14(11-13-16)19(17-8-5-9-18-21(17)24-25-28-18)22-20(23-26-29-22)15-6-3-2-4-7-15/h2-4,6-7,10-13,17,19H,5,8-9H2,1H3/t17-,19-/m0/s1
    MOLECULAR FORMULA
    C22H20N4OSe2
    CROSS REFERENCES
    990181 logo

    canSAR990181

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.00
    AlogP 3.31
    HBond donors 0
    HBond acceptors 5
    Atoms 49
    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 canSAR990181.