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. 2022 Sep 29;17(22):e202200421. doi: 10.1002/cmdc.202200421

Table 1.

Docking scores of pyrrolo[2,3‐d]pyrimidine derivatives 2 aq.

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Entry

Compound

R

R′

Docking score[a]

Entry

Compound

R

R′

Docking score[a]

1

Compound 1294

−13.420

10

2 i

graphic file with name CMDC-17-0-g075.jpg

graphic file with name CMDC-17-0-g057.jpg

−11.873

2

2 a

graphic file with name CMDC-17-0-g018.jpg

graphic file with name CMDC-17-0-g063.jpg

−13.083

11

2 j

graphic file with name CMDC-17-0-g076.jpg

graphic file with name CMDC-17-0-g053.jpg

−10.227

3

2 b

graphic file with name CMDC-17-0-g037.jpg

graphic file with name CMDC-17-0-g017.jpg

−12.787

12

2 k

graphic file with name CMDC-17-0-g027.jpg

graphic file with name CMDC-17-0-g077.jpg

−9.715

4

2 c

graphic file with name CMDC-17-0-g064.jpg

graphic file with name CMDC-17-0-g054.jpg

−13.617

13

2 l

graphic file with name CMDC-17-0-g036.jpg

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−10.013

5

2 d

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graphic file with name CMDC-17-0-g060.jpg

−11.117

14

2 m

graphic file with name CMDC-17-0-g014.jpg

graphic file with name CMDC-17-0-g005.jpg

−13.976

6

2 e

graphic file with name CMDC-17-0-g032.jpg

graphic file with name CMDC-17-0-g052.jpg

−10.823

15

2 n

graphic file with name CMDC-17-0-g038.jpg

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−10.992

7

2 f

graphic file with name CMDC-17-0-g062.jpg

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−13.634

16

2 o

graphic file with name CMDC-17-0-g058.jpg

graphic file with name CMDC-17-0-g033.jpg

−9.697

8

2 g

graphic file with name CMDC-17-0-g003.jpg

graphic file with name CMDC-17-0-g061.jpg

−13.037

17

2 p

graphic file with name CMDC-17-0-g001.jpg

graphic file with name CMDC-17-0-g059.jpg

−11.271

9

2 h

graphic file with name CMDC-17-0-g016.jpg

graphic file with name CMDC-17-0-g031.jpg

−9.682

18

2 q

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−12.503

[a] All docking scores given in units cal mol−1.