Compounds

ALA1078580

Name:
3-bromo-10-methyl-9H-benzo[f]imidazo[1,5-a][1,2,4]
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Mol. Formula:
C13H10BrN5

M.W.:
316.16

29 activity values

12 unique targets

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
48.53

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1783287

Name:
9-amino-2-cyclobutyl-5-(2-methoxypyridin-3-yl)-2,3
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Mol. Formula:
C21H20N4O2

M.W.:
360.42

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
81.34

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1783286

Name:
4-amino-N-cyclopropyl-8-(2-methoxy-5-methylpyridin
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Mol. Formula:
C19H19N5O2

M.W.:
349.39

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
103.02

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1783285

Name:
4-amino-N-cyclopropyl-8-(3,6-dimethoxypyridazin-4-
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Mol. Formula:
C18H17FN6O3

M.W.:
384.37

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.72

Polar Surface Area:
125.14

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1783284

Name:
4-amino-N-cyclopropyl-8-(2,6-dimethoxypyridin-3-yl
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Mol. Formula:
C19H18FN5O3

M.W.:
383.38

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.32

Polar Surface Area:
112.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1783283

Name:
4-amino-8-(2,4-dimethoxyphenyl)-7-fluoro-N-propylc
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Mol. Formula:
C20H21FN4O3

M.W.:
384.41

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
99.36

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1783282

Name:
4-amino-8-(2-fluoro-6-methoxyphenyl)-N-propylcinno
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Cas Number:
942437-37-8

Mol. Formula:
C19H19FN4O2

M.W.:
354.39

32 activity values

15 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
90.13

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1783281

Name:
4-amino-8-(2-methoxy-5-methylphenyl)-N-propylcinno
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Mol. Formula:
C20H22N4O2

M.W.:
350.42

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
90.13

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1783280

Name:
4-amino-8-(4-methoxypyridin-3-yl)-N-propylcinnolin
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Mol. Formula:
C18H19N5O2

M.W.:
337.38

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
103.02

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1783279

Name:
4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylci
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Mol. Formula:
C18H20N6O3

M.W.:
368.40

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
125.14

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1783278

Name:
9-amino-5-(2,5-dimethoxyphenyl)-2-ethyl-6-fluoro-2
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Mol. Formula:
C21H20FN3O3

M.W.:
381.41

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
77.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1783277

Name:
9-amino-2-cyclopropyl-5-(2,5-dimethoxyphenyl)-6-fl
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Mol. Formula:
C22H20FN3O3

M.W.:
393.42

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
77.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA1783276

Name:
9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-6-flu
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Mol. Formula:
C23H22FN3O3

M.W.:
407.45

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
77.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1783275

Name:
4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-isoprop
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Mol. Formula:
C20H21FN4O3

M.W.:
384.41

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
99.36

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1783274

Name:
4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluoroci
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Mol. Formula:
C19H19FN4O3

M.W.:
370.38

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
99.36

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1783273

Name:
4-amino-N-cyclobutyl-8-(2,5-dimethoxyphenyl)-7-flu
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Mol. Formula:
C21H21FN4O3

M.W.:
396.42

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
99.36

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1783272

Name:
4-amino-8-(2,5-dimethoxyphenyl)-7-fluoro-N-propylc
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Mol. Formula:
C20H21FN4O3

M.W.:
384.41

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
99.36

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1783271

Name:
4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fl
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Mol. Formula:
C20H19FN4O3

M.W.:
382.40

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
99.36

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1783270

Name:
9-amino-2-cyclopropyl-5-(2,5-dimethoxyphenyl)-2,3-
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Mol. Formula:
C22H21N3O3

M.W.:
375.43

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
77.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1783269

Name:
9-amino-2-cyclobutyl-5-(2,5-dimethoxyphenyl)-2,3-d
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Mol. Formula:
C23H23N3O3

M.W.:
389.46

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
77.68

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS