TABLE 4.
Compound name or no. | Substituent at position:
|
IC50 (μM) | LUMO energy (kcal/mol) | |
---|---|---|---|---|
R1 | R2 | |||
RWJ-3981 | Cl | Phenyl | 0.2 | −59.5 |
1 | Cl | 3,4-Dichlorinated phenyl | 0.4 | −63.6 |
2 | Dimethylamino | Phenyl | 22 | −50.0 |
3 | H | Phenyl | >25 | −55.8 |
4 | 4-Methoxyanilino | Phenyl | >25 | −50.7 |
5 | 2-Hydroxyethylthio | Phenyl | >25 | −56.0 |
6 | N-Morpholino | Phenyl | >25 | −52.1 |