No.

R1

R2

X

Formule

IC50a (nM)

Log P

No violation

1

H

H

H

C14H11N3

344

3.14

0

2

H

H

F

C14H10FN3

56

3.62

0

3

H

H

Cl

C14H10ClN3

23

4.03

0

4

H

H

Br

C14H10BrN3

27

4.34

0

5

H

H

I

C14H10IN3

80

4.60

0

6

H

H

CF3

C15H10F3N3

577

4.35

0

7

OMe

H

H

C15H13N3O

55

3.05

0

8

OMe

H

H

C15H12BrN3O

30

4.26

0

9

NH2

H

H

C14H12N4

770

1.86

0

10

NH2

H

CF3

C15H11F3N4

574

3.07

0

11

NH2

H

Br

C14H11BrN4

0.78

3.06

0

12

NO2

H

H

C14H10N4O213

5000

2.87

0

13

NO2

H

Br

C14H9BrN4O2

900

4.07

0

14

NO2

H

CF3

C15H9F3N4O2

>104

4.08

0

15

H

MeO

H

C15H13N3O

120

3.05

0

16

H

MeO

Br

C15H12BrN3O

10

4.26

0

17

H

NH2

H

C14H12N4

100

1.86

0

18

H

NH2

F

C14H11FN4

2.0

2.34

0

19

H

NH2

Cl

C14H11ClN4

0.25

2.75

0

20

H

NH2

Br

C14H11BrN4

0.1

3.06

0

21

H

NH2

I

C14H11IN4

0.35

3.32

0

22

H

NH2

CF3

C15H11F3N4

3.3

3.07

0

23

H

NO2

H

C14H10N4O2

1.2 × 104

2.87

0

24

H

NO2

F

C14H9FN4O2

6100

3.35

0

25

H

NO2

Cl

C14H9CIN4O2

810

3.76

0

26

H

NO2

Br

C14H9BrN4O2

1000

4.07

0

27

H

NO2

I

C14H9IN4O2

540

4.33

0

28

H

NO2

CF3

C15H9F3N4O2

>104

4.08

0

29

OMe

OMe

H

C16H15N3O2

29

2.87

0

30

OMe

OMe

F

C16H14FN3O2

3.8

3.36

0