Compounds

ALA4878871

Name:
6-(((4-(tert-Butoxy)pyrimidin-5-yl)methyl)amino)-4-(((cis)-4-hydroxycycloheShow More⌵

Mol. Formula:
C21H28N6O2

M.W.:
396.50

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
115.98

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4878438

Name:
4-((((cis)-3-Hydroxycyclobutyl)methyl)amino)-6-(((4-(trifluoromethyl)pyridiShow More⌵

Mol. Formula:
C18H18F3N5O

M.W.:
377.37

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
93.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4878146

Name:
(cis)-3-(5-Cyano-2-(2-(trifluoromethyl)benzylamino)pyridin-4-ylamino)cyclobShow More⌵

Mol. Formula:
C19H18F3N5O

M.W.:
389.38

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
103.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4876360

Name:
cis-4-((5-Cyano-2-(((4-(trifluoromethylpyridin-3-yl)methyl)-amino)pyridin-4Show More⌵

Mol. Formula:
C21H23F3N6O

M.W.:
432.45

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
102.73

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4875806

Name:
4-(((1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl)amino)-2-(((4-(trifluoromethylShow More⌵

Mol. Formula:
C18H19F3N6O

M.W.:
392.39

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
106.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4875258

Name:
4-((((cis)-4-Hydroxycyclohexyl)methyl)amino)-6-(((4-(trifluoromethyl)pyridiShow More⌵

Mol. Formula:
C20H22F3N5O

M.W.:
405.42

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
93.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4874653

Name:
4-(((cis)-4-(1H-1,2,4-Triazol-1-yl)cyclohexyl)amino)-6-(((4-(trifuoromethylShow More⌵

Mol. Formula:
C21H21F3N8

M.W.:
442.45

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
104.34

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4873812

Name:
4-(((1S,3S)-3-Hydroxy-2,2-dimethylcylobutyl)amino)-2-(((4-(trifluoromethyl)Show More⌵

Mol. Formula:
C18H19F3N6O

M.W.:
392.39

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
106.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4873755

Name:
4-((cis)-4-Methoxycyclohexylamino)-6-((4-(trifluoromethyl)-pyridin-3-yl)metShow More⌵

Mol. Formula:
C20H22F3N5O

M.W.:
405.42

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
82.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

CC-90005

Name:
2-((4-(2,2-difluoropropoxy)pyrimidin-5-yl)methylamino)-4-((1R,4S)-4-hydroxyShow More⌵

Mol. Formula:
C21H27F2N7O2

M.W.:
447.49

31 activity values

11 unique targets

Type:
Unknown

AlogP:
3.14

Polar Surface Area:
128.87

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4873015

Name:
4-(((cis)-4-Hydroxycyclohexyl)amino)-6-(((4-methoxypyrimidin-5-yl)methyl)amShow More⌵

Mol. Formula:
C18H22N6O2

M.W.:
354.41

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
115.98

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4872846

Name:
4-((trans)-4-Hydroxycyclohexylamino)-6-(2-(trifluoromethyl)-benzylamino)nicShow More⌵

Mol. Formula:
C20H21F3N4O

M.W.:
390.41

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
80.97

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4872717

Name:
4-(((cis)-4-Hydroxycyclohexyl)amino)-6-(((4-(trifluoromethyl)-pyridin-3-yl)Show More⌵

Mol. Formula:
C19H20F3N5O

M.W.:
391.40

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
93.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4870774

Name:
cis-4-((5-Cyano-2-(((4-(trifluoromethyl)pyridin-3-yl)methyl)amino)pyridin-4Show More⌵

Mol. Formula:
C20H21F3N6O

M.W.:
418.42

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
116.72

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4870192

Name:
cis-4-((5-Cyano-2-(((4-(trifluoromethyl)pyridin-3-yl)methyl)-amino)pyridin-Show More⌵

Mol. Formula:
C22H25F3N6O

M.W.:
446.48

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
93.94

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4870017

Name:
4-(((trans)-4-Hydroxycyclohexyl)amino)-6-(((4-(trifluoromethyl)-pyridin-3-yShow More⌵

Mol. Formula:
C19H20F3N5O

M.W.:
391.40

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
93.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4867906

Name:
4-(((cis)-4-Hydroxy-3,3,5,5-tetramethylcyclohexyl)amino)-6-(((4-(trifluoromShow More⌵

Mol. Formula:
C23H28F3N5O

M.W.:
447.51

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
93.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4865721

Name:
6-(((4-(2,2-Difluoroethoxy)pyrimidin-5-yl)methyl)amino)-4-(((cis)-4-hydroxyShow More⌵

Mol. Formula:
C19H22F2N6O2

M.W.:
404.42

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
115.98

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4865377

Name:
4-((trans-3-Hydroxycyclobutyl)amino)-6-(((4-(trifluoromethyl)-pyridin-3-yl)Show More⌵

Mol. Formula:
C17H16F3N5O

M.W.:
363.34

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
93.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4864450

Name:
4-((trans)-4-Methoxycyclohexylamino)-6-((4-(trifluoromethyl)-pyridin-3-yl)mShow More⌵

Mol. Formula:
C20H22F3N5O

M.W.:
405.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
82.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS