Compounds

ALA4476044

Name:
3'-(5-(2-hydroxypropan-2-yl)-1H-benzo[d]imidazol-1
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Cas Number:
951650-22-9

Mol. Formula:
C23H19N3O

M.W.:
353.43

27 activity values

12 unique targets

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
61.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4537552

Name:
(4R)-8-ethynyl-6-(2-fluorophenyl)-N,N,4-trimethyl-
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Mol. Formula:
C23H19FN4O

M.W.:
386.43

11 activity values

5 unique targets

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
50.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4537371

Name:
methyl 8-ethynyl-6-(pyridin-2-yl)-4H-benzo[f]imida
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Mol. Formula:
C20H14N4O2

M.W.:
342.36

8 activity values

4 unique targets

Type:
Unknown

AlogP:
2.39

Polar Surface Area:
69.37

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4553352

Name:
(4R)-N-cyclopropyl-8-ethynyl-6-(2-fluorophenyl)-4-
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Mol. Formula:
C24H19FN4O

M.W.:
398.44

11 activity values

5 unique targets

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
59.28

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4571892

Name:
(4R)-ethyl 8-ethynyl-6-(2-fluorophenyl)-4-methyl-4
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Cas Number:
872874-14-1

Mol. Formula:
C23H18FN3O2

M.W.:
387.41

11 activity values

8 unique targets

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
56.48

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4547830

Name:
(4S)-ethyl 8-ethynyl-6-(2-fluorophenyl)-4-methyl-4
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Cas Number:
872874-00-5

Mol. Formula:
C23H18FN3O2

M.W.:
387.41

8 activity values

8 unique targets

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
56.48

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4581355

Name:
1-(cyclopropylmethyl)-5-fluoro-4-methyl-N-(5-(1-me
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Cas Number:
1802661-73-9

Mol. Formula:
C21H21FN6

M.W.:
376.44

35 activity values

9 unique targets

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
60.56

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5281056

Name:

Mol. Formula:
C16H10N4

M.W.:
258.28

Type:
---

AlogP:
3.75

Polar Surface Area:
57.36

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5279320

Name:
5-(pyridin-2-yl)imidazo[1,5-a]quinoxalin-4(5H)-one

Mol. Formula:
C15H10N4O

M.W.:
262.27

Type:
---

AlogP:
2.03

Polar Surface Area:
52.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5279280

Name:
7,8-difluoro-5-(pyridin-3-ylmethyl)imidazo[1,5-a]q
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Mol. Formula:
C16H10F2N4O

M.W.:
312.28

Type:
---

AlogP:
2.37

Polar Surface Area:
52.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5278602

Name:
5-((4-oxoimidazo[1,5-a]quinoxalin-5(4H)-yl)methyl)
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Mol. Formula:
C17H11N5O

M.W.:
301.31

Type:
---

AlogP:
1.96

Polar Surface Area:
75.98

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5278436

Name:
5-(pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo
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Mol. Formula:
C17H11F3N4O2

M.W.:
360.30

Type:
---

AlogP:
2.99

Polar Surface Area:
61.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5287086

Name:
5-(2-(pyridin-2-yl)ethyl)imidazo[1,5-a]quinoxalin-
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Mol. Formula:
C17H14N4O

M.W.:
290.33

Type:
---

AlogP:
2.29

Polar Surface Area:
52.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5286390

Name:
5-((6-(morpholine-4-carbonyl)pyridin-3-yl)methyl)i
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Mol. Formula:
C21H19N5O3

M.W.:
389.42

Type:
---

AlogP:
1.56

Polar Surface Area:
81.73

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5291059

Name:
imidazo[1,5-a]quinoxalin-4(5H)-one

Mol. Formula:
C10H7N3O

M.W.:
185.19

Type:
---

AlogP:
1.18

Polar Surface Area:
50.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS

ALA5290579

Name:
methyl 4-ethyl-6,7-dimethoxy-1-methyl-9H-pyrido[3,
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Mol. Formula:
C18H20N2O4

M.W.:
328.37

Type:
---

AlogP:
3.39

Polar Surface Area:
73.44

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5289246

Name:
8-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quin
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Mol. Formula:
C17H14N4O2

M.W.:
306.33

Type:
---

AlogP:
2.10

Polar Surface Area:
61.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5284008

Name:
5-((3,5-dimethylisoxazol-4-yl)methyl)-3-methylimid
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Mol. Formula:
C17H16N4O2

M.W.:
308.34

Type:
---

AlogP:
2.61

Polar Surface Area:
65.33

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5277009

Name:
4-oxo-5-(pyridin-3-ylmethyl)-4,5-dihydroimidazo[1,
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Mol. Formula:
C17H11N5O

M.W.:
301.31

Type:
---

AlogP:
1.96

Polar Surface Area:
75.98

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5275690

Name:
ethyl 4-ethyl-6,7-dimethoxy-1-methyl-9H-pyrido[3,4
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Mol. Formula:
C19H22N2O4

M.W.:
342.40

Type:
---

AlogP:
3.78

Polar Surface Area:
73.44

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS