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. 2001 Nov;45(11):3182–3188. doi: 10.1128/AAC.45.11.3182-3188.2001

TABLE 4.

Structure-activity relationship (SAR) of analogs of RWJ-3981  

graphic file with name ac11103750t4.jpg

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