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ElectronicEffects?
Alkylate?
HeteroatomReplacement?
AcidicHydrogens?
More electrondensity here?
Electronics?
Racemic? (S)
(R)3D View?
Oxidation problems? Would a quat center help?
Sterics?
alpha-betaSubstitutions
SubstitutionPatterns
SO MANYQUESTIONSSO LITTLE TIME
With Lead Discovery, I can answer all of my questions
HBD/A
Alkyl substitution at R6 is optimal. Unsubstituted beta-position is key.
Chiral center (R) enantiomer15x more active
R1 and R2 must be H, loss of all activity with substitution
Increased activity whenR3 is electron W/D. Increased p450 stability and activity against target when R4 does not equal H
Optimal activity when R5 is ortho substituted.
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R6
R6
R1
R2
R5
R4R3
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