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. 2020 May 12;5(20):11570–11577. doi: 10.1021/acsomega.0c00820

Table 3. Ranges of cSAR(X) Values for Substituents for Adenine and Purine C8–X- and C2–X-Substituted Tautomersa.

cSAR(X)
  C8–X
C2–X
  AD PU AD PU
NO2 0.061 0.036 0.044 0.045
CN 0.048 0.021 0.034 0.028
CHO 0.054 0.025 0.036 0.032
Cl 0.056 0.031 0.058 0.053
F 0.041 0.022 0.042 0.037
H 0.039 0.019 0.032 0.028
Me 0.050 0.027 0.049 0.045
OMe 0.066 0.026 0.055 0.050
OH 0.047 0.022 0.047 0.043
NH2 0.020 0.013 0.061 0.035
range 0.046 0.023 0.029 0.025
average 0.048 0.024 0.046 0.040
SD 0.013 0.006 0.010 0.009
a

Entries in bold underline the obtained values for unsubstituted adenine and purine tautomers.