Compounds

ALA4099517

Name:
1-(4-(6-((4-(2-(Cyclopentylamino)-4-methylthiazol-5-yl)-pyrimidin-2-yl)aminShow More⌵

Mol. Formula:
C24H30N8OS

M.W.:
478.63

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
99.17

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4098811

Name:
5-(2-((5-(1,4-Diazepan-1-yl)pyridin-2-yl)amino)pyrimidin-4-yl)-N-cyclopentyShow More⌵

Mol. Formula:
C23H30N8S

M.W.:
450.62

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
90.89

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4097082

Name:
N-Cyclopentyl-4-methyl-5-(2-(pyridin-2-ylamino)pyrimidin-4-yl)-thiazol-2-amShow More⌵

Mol. Formula:
C18H20N6S

M.W.:
352.47

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
75.62

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4091780

Name:
N-Cyclopentyl-4-methyl-5-(2-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)Show More⌵

Mol. Formula:
C23H30N8S

M.W.:
450.62

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
82.10

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4089373

Name:
N-Cyclopentyl-4-methyl-5-(2-((5-(piperidin-1-yl)pyridin-2-yl)-amino)pyrimidShow More⌵

Mol. Formula:
C23H29N7S

M.W.:
435.60

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
78.86

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4081497

Name:
N-Cyclopentyl-4-methyl-5-(2-((5-morpholinopyridin-2-yl)amino)-pyrimidin-4-yShow More⌵

Mol. Formula:
C22H27N7OS

M.W.:
437.57

93 activity values

34 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
88.09

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4071812

Name:
N-Cyclopentyl-4-methyl-5-(2-((5-(piperazin-1-yl)pyridin-2-yl)-amino)pyrimidShow More⌵

Mol. Formula:
C22H28N8S

M.W.:
436.59

34 activity values

21 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
90.89

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4070914

Name:
N-Cyclopentyl-5-(2-((5-(4-ethylpiperazin-1-yl)pyridin-2-yl)-amino)pyrimidinShow More⌵

Mol. Formula:
C24H32N8S

M.W.:
464.64

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
82.10

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4069886

Name:
N-Cyclopentyl-4-methyl-5-(2-((5-(4-(methylsulfonyl)piperazin-1-yl)pyridin-2Show More⌵

Mol. Formula:
C23H30N8O2S2

M.W.:
514.68

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
116.24

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4061223

Name:
5-(2-((5-(4-Aminopiperidin-1-yl)pyridin-2-yl)amino)pyrimidin-4-yl)-N-cyclopShow More⌵

Mol. Formula:
C23H30N8S

M.W.:
450.62

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
104.88

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

RGB-286638

Name:
RGB-286638

Mol. Formula:
C29H35N7O4

M.W.:
545.64

321 activity values

303 unique targets

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
115.06

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1766566

Name:
(R)-2-Chloro-N-(2-(5-(dimethylamino)naphthalene-1-sulfonamido)ethyl)-4-(2-(Show More⌵

Mol. Formula:
C33H40ClN9O4S

M.W.:
694.26

29 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
166.40

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS