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Table 1 2-Anilimopyrimidine derivatives with their activities

From: In silico studies of some 2-anilinopyrimidine derivatives as anti-triple-negative breast cancer agents

Compounds

R

X

Experimental activities (IC50)

Calculated activities (pIC50)

1

H

O

55.2

4.26

2

O

84.5

4.07

3

S

57.4

4.24

4

CH2

86.8

4.06

5

O

73.4

4.13

6

S

65.0

4.19

7

CH2

78.1

4.11

8

O

80.7

4.09

9

S

56.5

4.25

10

CH2

71.7

4.14

11

H

O

71.8

4.14

12

H

CH2

45.1

4.35

13

Me

O

51.3

4.29

14

Me

S

61.3

4.21

15

Cl

CH2

21.3

4.67

16

Cl

O

61.6

4.21

17

Cl

S

62.7

4.20

18

Cl

CH2

52.1

4.28

19

O

77.1

4.11

20

S

78.3

4.11

21

CH2

53.1

4.24

22

O

69.7

4.16

23

S

36.0

4.44

24

CH2

53.1

4.27

25

88.0

4.06

26

88.0

4.06

27

64.6

4.19

28

69.7

4.16

29

62.0

4.21

30

16.9

4.77