Lead compound structure groups into which 14 of the 30 most potent compounds falla

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  • a All 30 structures are available in Table S1 in the supplemental material. The 14 most potent compounds were divided into groups representing structurally related families. The numbers of compounds that also fell into these groups that were in the screening library and that were screening positive are indicated. Six of the groups are represented with generic structures. The notations on molecules R1, R2, R3, etc., indicate points of variation on the molecules. The notation “A” in structural group 2 indicates potential locations of nitrogen atoms on the ring.

  • b Screening-positive compounds were scored as strong, medium, and weak.