Compounds

ALA4176370

Name:
N'-(3-isoquinolylmethyl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyShow More⌵

Mol. Formula:
C24H30N4

M.W.:
374.53

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4176238

Name:
N'-[(5-methyl-2-pyridyl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yShow More⌵

Mol. Formula:
C21H30N4

M.W.:
338.50

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4175319

Name:
N'-(2-pyridylmethyl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]buShow More⌵

Mol. Formula:
C20H28N4

M.W.:
324.47

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4172866

Name:
N'-[(3-methyl-2-pyridyl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yShow More⌵

Mol. Formula:
C21H30N4

M.W.:
338.50

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4172443

Name:
N'-[(3-chloro-2-pyridyl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yShow More⌵

Mol. Formula:
C20H27ClN4

M.W.:
358.92

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4171868

Name:
N'-(1-isoquinolylmethyl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyShow More⌵

Mol. Formula:
C24H30N4

M.W.:
374.53

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4171469

Name:
N'-[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-N'-[[(3R)-1,2,3,4-tetrahShow More⌵

Mol. Formula:
C22H30N4O

M.W.:
366.51

13 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
63.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4171330

Name:
N'-[(5-methoxy-2-pyridyl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-Show More⌵

Mol. Formula:
C21H30N4O

M.W.:
354.50

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
63.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4169064

Name:
N'-[(3-fluoro-2-pyridyl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yShow More⌵

Mol. Formula:
C20H27FN4

M.W.:
342.46

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4168512

Name:
N'-[(6-methyl-2-pyridyl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yShow More⌵

Mol. Formula:
C21H30N4

M.W.:
338.50

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4168126

Name:
N'-[(1S)-1-(2-pyridyl)ethyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]mShow More⌵

Mol. Formula:
C21H30N4

M.W.:
338.50

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4165634

Name:
N'-[(4-methyl-2-pyridyl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yShow More⌵

Mol. Formula:
C21H30N4

M.W.:
338.50

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4164685

Name:
N'-[(1S)-1-(3-methyl-2-pyridyl)ethyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolShow More⌵

Mol. Formula:
C22H32N4

M.W.:
352.53

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4164560

Name:
N'-[(4-chloro-2-pyridyl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yShow More⌵

Mol. Formula:
C20H27ClN4

M.W.:
358.92

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4163573

Name:
N'-[(8S)-3-methyl-5,6,7,8-tetrahydroquinolin-8-yl]-N'-[[(3R)-1,2,3,4-tetrahShow More⌵

Mol. Formula:
C24H34N4

M.W.:
378.56

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4162461

Name:
N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[[5-(trifluoromethyShow More⌵

Mol. Formula:
C21H27F3N4

M.W.:
392.47

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4162203

Name:
N'-[(5-chloro-2-pyridyl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yShow More⌵

Mol. Formula:
C20H27ClN4

M.W.:
358.92

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4161263

Name:
N'-(2-quinolylmethyl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]bShow More⌵

Mol. Formula:
C24H30N4

M.W.:
374.53

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4161140

Name:
N'-[(5-fluoro-2-pyridyl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yShow More⌵

Mol. Formula:
C20H27FN4

M.W.:
342.46

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4160731

Name:
N'-[(3-methoxy-2-pyridyl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-Show More⌵

Mol. Formula:
C21H30N4O

M.W.:
354.50

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
63.41

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.68

DETAILS