Compounds

ALA2414311

Name:
(S)-1-((3-(5-bromo-4-isopropyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphShow More⌵

Mol. Formula:
C21H26BrN3O6S

M.W.:
528.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
129.66

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1939811

Name:
6-methoxy-N,3,8-trimethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]quShow More⌵

Mol. Formula:
C19H24N4O2

M.W.:
340.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
63.27

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1939810

Name:
6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinolin-Show More⌵

Mol. Formula:
C19H25N5O

M.W.:
339.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
74.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1939807

Name:
6-methoxy-3,8-dimethyl-N-(morpholin-2-ylmethyl)-1H-pyrazolo[3,4-b]quinolin-Show More⌵

Mol. Formula:
C18H23N5O2

M.W.:
341.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
84.09

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1939806

Name:
6-methoxy-3,8-dimethyl-N-((tetrahydro-2H-pyran-2-yl)methyl)-1H-pyrazolo[3,4Show More⌵

Mol. Formula:
C19H24N4O2

M.W.:
340.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
72.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1939804

Name:
6-methoxy-3,8-dimethyl-N-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazolo[3,4Show More⌵

Mol. Formula:
C19H24N4O2

M.W.:
340.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
72.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1939802

Name:
6-methoxy-3,8-dimethyl-N-(2-(pyridin-4-yl)ethyl)-1H-pyrazolo[3,4-b]quinolinShow More⌵

Mol. Formula:
C20H21N5O

M.W.:
347.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
75.72

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1939801

Name:
6-methoxy-3,8-dimethyl-N-(pyridin-2-ylmethyl)-1H-pyrazolo[3,4-b]quinolin-4-Show More⌵

Mol. Formula:
C19H19N5O

M.W.:
333.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
75.72

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1939800

Name:
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinolin-4-Show More⌵

Mol. Formula:
C19H19N5O

M.W.:
333.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
75.72

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA212085

Name:
4,9-dimethyl-2-phenyl-7-propyl-7H-3,3a,5,7,8-pentaaza-cyclopenta[a]naphthalShow More⌵

Mol. Formula:
C19H19N5O

M.W.:
333.40

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
65.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA385683

Name:
7-benzo[1,3]dioxol-5-ylmethyl-4,9-dimethyl-2-phenyl-7H-3,3a,5,7,8-pentaaza-Show More⌵

Mol. Formula:
C24H19N5O3

M.W.:
425.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
83.54

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA386740

Name:
3-benzyl-1-[(4-methylpiperazin-1-yl)methyl-6-methyl-9-phenylpyrazolo[1',5':Show More⌵

Mol. Formula:
C28H29N7O

M.W.:
479.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
71.56

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA377144

Name:
3-benzyl-1-[(dimethylamino)methyl]-6-methyl-9-phenylpyrazolo[1',5':1,6]pyriShow More⌵

Mol. Formula:
C25H24N6O

M.W.:
424.51

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
68.32

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA215756

Name:
5-(7-benzyl-9-methyl-6-oxo-2-phenyl-6,7-dihydro-3,3a,5,7,8-pentaaza-cyclopeShow More⌵

Mol. Formula:
C28H27N5O3

M.W.:
481.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
91.38

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA215699

Name:
methyl 3-benzyl-1-methyl-4-oxo-9-phenyl-3,4-dihydropyrazolo[1',5':1,6]pyrimShow More⌵

Mol. Formula:
C26H23N5O3

M.W.:
453.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
91.38

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA378542

Name:
3-benzyl-1-methyl-6-(3-oxobutyl)-9-phenylpyrazolo[1',5':1,6]-pyrimido[4,5-dShow More⌵

Mol. Formula:
C26H23N5O2

M.W.:
437.50

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
82.15

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA212397

Name:
7-benzyl-4,9-dimethyl-2-pyridin-3-yl-7H-3,3a,5,7,8-pentaaza-cyclopenta[a]naShow More⌵

Mol. Formula:
C22H18N6O

M.W.:
382.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
77.97

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA213265

Name:
4,7,9-trimethyl-2-phenyl-7H-3,3a,5,7,8-pentaaza-cyclopenta[a]naphthalen-6-oShow More⌵

Mol. Formula:
C17H15N5O

M.W.:
305.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
65.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA379568

Name:
1,6-dimethyl-4-oxo-9-phenyl-3,4-diidropyrazolo[1',5':1,6]pyrimido[4,5-d]pyrShow More⌵

Mol. Formula:
C18H15N5O3

M.W.:
349.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
102.38

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA386514

Name:
4,9-dimethyl-2-phenyl-7-(2-piperidin-4-yl-ethyl)-7H-3,3a,5,7,8-pentaaza-cycShow More⌵

Mol. Formula:
C23H26N6O

M.W.:
402.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
77.11

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS