Compounds

ALA4449552

Name:
N-(2-fluorophenyl)-3-methyl-1H-pyrazolo[4,3-c]pyridin-4-amine

Mol. Formula:
C13H11FN4

M.W.:
242.26

60 activity values

59 unique targets

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
53.60

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4175024

Name:
(S)-2-(6-(4-(hydroxymethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2-Show More⌵

Mol. Formula:
C21H20N4O2

M.W.:
360.42

64 activity values

54 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
94.06

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4167749

Name:
(R)-N-(4-(4-((1-Phenylethyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl)pShow More⌵

Mol. Formula:
C23H23N5O

M.W.:
385.47

55 activity values

53 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
82.70

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4159505

Name:
3-(4-Amino-7-(2-(dimethylamino)ethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenoShow More⌵

Mol. Formula:
C16H19N5O

M.W.:
297.36

55 activity values

53 unique targets

Type:
Small molecule

AlogP:
1.95

Polar Surface Area:
80.20

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3651297

Name:
US8481536, 578

Mol. Formula:
C27H31N5O

M.W.:
441.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.04

Polar Surface Area:
63.17

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3651296

Name:
US8481536, 574

Mol. Formula:
C29H32N4O

M.W.:
452.60

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
7.32

Polar Surface Area:
59.93

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3648061

Name:
US8481536, 411::US8481536, 589

Mol. Formula:
C26H29N7OS

M.W.:
487.63

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
95.93

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3648058

Name:
US8481536, 407::US8481536, 587

Mol. Formula:
C27H30N6O2

M.W.:
470.58

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
96.18

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3194708

Name:
SID124350072

Mol. Formula:
C15H13N3O3S

M.W.:
315.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
101.29

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3188999

Name:
SID124349820

Mol. Formula:
C20H17N5O

M.W.:
343.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
80.49

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3184704

Name:
SID124350025

Mol. Formula:
C16H10N4O2

M.W.:
290.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.46

Polar Surface Area:
82.92

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3183994

Name:
SID124350021

Mol. Formula:
C21H18N6

M.W.:
354.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
80.24

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3182380

Name:
SID124350091

Mol. Formula:
C20H18N6O2

M.W.:
374.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
86.45

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2425652

Name:
trans-N1-(4-(1H-benzo[d][1,2,3]triazol-1-yl)pyrimidin-2-yl)cyclohexane-1,4-Show More⌵

Mol. Formula:
C16H19N7

M.W.:
309.38

134 activity values

131 unique targets

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
94.54

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2425649

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

Mol. Formula:
C21H25N7O2

M.W.:
407.48

134 activity values

131 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
98.06

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2390986

Name:
4-methyl-N-(1-(p-tolyl)-1H-benzo[d]imidazol-5-yl)phthalazin-1-amine

Mol. Formula:
C23H19N5

M.W.:
365.44

37 activity values

31 unique targets

Type:
Small molecule

AlogP:
5.33

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2390984

Name:
N-(3-(4-Fluorophenyl)-1H-pyrazol-5-yl)-3-methylbenzamide

Mol. Formula:
C17H14FN3O

M.W.:
295.32

37 activity values

31 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2390983

Name:
4-Fluoro-N-(3-(p-tolyl)-1H-pyrazol-5-yl)benzamide

Mol. Formula:
C17H14FN3O

M.W.:
295.32

38 activity values

32 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2325940

Name:
cis-3-(8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl)-1-mShow More⌵

Mol. Formula:
C24H24N4O3

M.W.:
416.48

35 activity values

24 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
94.90

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2143906

Name:
SID124349915

Mol. Formula:
C17H18N2O

M.W.:
266.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS