Compounds

ALA5271785

Name:
1-(4-(4-amino-7-(1-(2-oxopropyl)-1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl)Show More⌵

Mol. Formula:
C27H24N6O2S

M.W.:
496.60

Type:
---

AlogP:
5.95

Polar Surface Area:
114.93

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5267979

Name:
1-(2-(2-amino-5-(2-(3-hydroxypropyl)-2H-tetrazol-5-yl)pyridin-3-yl)benzofurShow More⌵

Mol. Formula:
C25H20ClF3N8O3

M.W.:
572.94

Type:
---

AlogP:
5.43

Polar Surface Area:
157.01

HBA:
9

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5280116

Name:
4-(2-oxoimidazolidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)benzamide

Mol. Formula:
C19H17N5O2

M.W.:
347.38

Type:
---

AlogP:
2.86

Polar Surface Area:
90.12

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5279578

Name:
1-(5-(4-amino-7-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(2-etShow More⌵

Mol. Formula:
C27H26F3N5O2

M.W.:
509.53

Type:
---

AlogP:
5.29

Polar Surface Area:
86.27

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5286788

Name:
1-(5-(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)indolin-1-yl)-2-(2-eShow More⌵

Mol. Formula:
C26H25F3N6O2

M.W.:
510.52

Type:
---

AlogP:
4.69

Polar Surface Area:
99.16

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5266620

Name:
N-(4-(4-amino-1-((1r,4r)-4-(2-methoxyethoxy)cyclohexyl)-1H-pyrazolo[3,4-d]pShow More⌵

Mol. Formula:
C27H27ClFN7O3

M.W.:
552.01

Type:
---

AlogP:
5.90

Polar Surface Area:
126.14

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3215582

Name:
N5-(3-(9H-Purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinolineShow More⌵

Mol. Formula:
C26H22Cl4N8

M.W.:
588.33

375 activity values

316 unique targets

Type:
Small molecule

AlogP:
6.41

Polar Surface Area:
104.30

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2425654

Name:
trans-4-(4-(1H-benzo[d][1,2,3]triazol-1-yl)pyrimidin-2-ylamino)cyclohexanol

Mol. Formula:
C16H18N6O

M.W.:
310.36

324 activity values

288 unique targets

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
88.75

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2425646

Name:
trans-4-(4-(1H-indol-1-yl)pyrimidin-2-ylamino)cyclohexanol

Mol. Formula:
C18H20N4O

M.W.:
308.38

320 activity values

285 unique targets

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
62.97

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2425645

Name:
trans-4-(4-(1H-indazol-1-yl)pyrimidin-2-ylamino)cyclohexanol

Mol. Formula:
C17H19N5O

M.W.:
309.37

320 activity values

285 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
75.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1802787

Name:
(E)-5-((1H-indol-3-yl)methylene)imidazolidine-2,4-dione

Mol. Formula:
C12H9N3O2

M.W.:
227.22

Type:
Small molecule

AlogP:
1.35

Polar Surface Area:
73.99

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1802786

Name:
4-(5-methoxy-1H-indol-3-yl)-N-(2-morpholinoethyl)pyrimidin-2-amine

Mol. Formula:
C19H23N5O2

M.W.:
353.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
75.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1802785

Name:
3-(2-(4-(4-fluorophenyl)piperazin-1-yl)pyrimidin-4-yl)-1H-indole

Mol. Formula:
C22H20FN5

M.W.:
373.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
48.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1802783

Name:
4-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3-methoxypropyl)pyrimidin-2-amine

Mol. Formula:
C17H19ClN4O

M.W.:
330.82

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
62.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1802782

Name:
4-(5-chloro-2-methyl-1H-indol-3-yl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrShow More⌵

Mol. Formula:
C24H25ClN6

M.W.:
432.96

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
60.08

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1802781

Name:
N-(2-(1H-indol-3-yl)ethyl)-4-(3-(pyridin-4-yl)-1H-pyrazol-4-yl)pyrimidin-2-Show More⌵

Mol. Formula:
C22H19N7

M.W.:
381.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
95.17

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1802780

Name:
N-(4-chlorophenyl)-4-(5-methoxy-2-methyl-1H-indol-3-yl)pyrimidin-2-amine

Mol. Formula:
C20H17ClN4O

M.W.:
364.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
62.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1802779

Name:
N-(4-fluorophenyl)-4-(2-phenyl-1H-indol-3-yl)pyrimidin-2-amine

Mol. Formula:
C24H17FN4

M.W.:
380.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.17

Polar Surface Area:
53.60

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA1802778

Name:
N-(4-fluorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine

Mol. Formula:
C19H15FN4

M.W.:
318.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
53.60

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1802777

Name:
5-chloro-2-methyl-3-(2-(pyrrolidin-1-yl)pyrimidin-4-yl)-1H-indole

Mol. Formula:
C17H17ClN4

M.W.:
312.80

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
44.81

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS