Compounds

Type:
---

AlogP:
3.85

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5203229

Name:
2-(1-amino-3-(benzyloxy)propyl)-6-(1-methyl-1H-pyr
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Mol. Formula:
C22H23N5O2

M.W.:
389.46

Type:
---

AlogP:
2.93

Polar Surface Area:
98.82

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5200611

Name:
N-methyl-4-phenoxy-6-(pyridin-2-yl)pyrimidin-2-ami
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Mol. Formula:
C16H14N4O

M.W.:
278.31

4 activity values

Type:
---

AlogP:
3.37

Polar Surface Area:
59.93

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5195894

Name:
N4-cyclohexyl-N2-methyl-6-(pyridin-2-yl)pyrimidine
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Mol. Formula:
C16H21N5

M.W.:
283.38

Type:
---

AlogP:
3.32

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5195424

Name:
N2-cyclohexyl-N4-methyl-6-(pyridin-2-yl)pyrimidine
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Mol. Formula:
C16H21N5

M.W.:
283.38

Type:
---

AlogP:
3.32

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5193472

Name:
2-(1-amino-2-(1H-imidazol-5-yl)ethyl)-6-phenylquin
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Mol. Formula:
C19H17N5O

M.W.:
331.38

Type:
---

AlogP:
2.56

Polar Surface Area:
100.45

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5192920

Name:
rac-5-methyl-7-(2-phenylpyrrolidin-1-yl)-3-(pyridi
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Mol. Formula:
C22H21N5

M.W.:
355.45

Type:
---

AlogP:
4.44

Polar Surface Area:
46.32

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5182651

Name:
N-(4-fluorobenzyl)-5-methyl-3-(pyridin-2-yl)pyrazo
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Mol. Formula:
C19H16FN5

M.W.:
333.37

Type:
---

AlogP:
3.85

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5181574

Name:
rac-2-(4-fluorophenyl)-N-methyl-2-(5-methyl-3-(pyr
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Mol. Formula:
C21H19FN6O

M.W.:
390.42

Type:
---

AlogP:
3.14

Polar Surface Area:
84.21

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5181167

Name:
5-methyl-3-(pyridin-2-yl)-7-(2-(pyridin-3-yl)pyrro
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Mol. Formula:
C21H20N6

M.W.:
356.43

6 activity values

Type:
---

AlogP:
3.84

Polar Surface Area:
59.21

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5180932

Name:
2-(3-(cyclobutylmethyl)-4-oxo-3,4-dihydrophthalazi
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Mol. Formula:
C21H22N4O2

M.W.:
362.43

Type:
---

AlogP:
2.45

Polar Surface Area:
76.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5180126

Name:
N-(2-(4-fluorophenyl)propan-2-yl)-5-methyl-3-(pyri
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Mol. Formula:
C21H20FN5

M.W.:
361.42

Type:
---

AlogP:
4.59

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5177479

Name:
N-(1-(4-fluorophenyl)ethyl)-5-methyl-3-(pyridin-2-
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Mol. Formula:
C20H18FN5

M.W.:
347.40

8 activity values

2 unique targets

Type:
---

AlogP:
4.41

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5174704

Name:
rac-1-(5-methyl-3-(pyridin-2-yl)pyrazolo[1,5-a]pyr
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Mol. Formula:
C22H19N5O

M.W.:
369.43

Type:
---

AlogP:
3.97

Polar Surface Area:
63.39

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5170821

Name:
5-methyl-7-(3-phenylpyrrolidin-1-yl)-3-(pyridin-2-
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Mol. Formula:
C22H21N5

M.W.:
355.45

6 activity values

Type:
---

AlogP:
4.09

Polar Surface Area:
46.32

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4093427

Name:
(E)-1-(benzo[d]thiazol-2-yl)-4-((3-hydroxypropylam
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Mol. Formula:
C20H18N4O2S

M.W.:
378.46

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
77.82

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4093273

Name:
4-(4-isopropoxyphenyl)-3-methyl-1-(7H-purin-6-yl)-
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Mol. Formula:
C21H21N7O2

M.W.:
403.45

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
110.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4091396

Name:
4-(2,4-dichlorobenzyloxy)-3-methyl-1-(7H-purin-6-y
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Mol. Formula:
C19H15Cl2N7O2

M.W.:
444.28

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
110.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4090669

Name:
N-(3-methyl-6-oxo-1-(7H-purin-6-yl)-4,5,6,7-tetrah
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Mol. Formula:
C22H22N8O2

M.W.:
430.47

Type:
Small molecule

AlogP:
2.54

Polar Surface Area:
130.48

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4089753

Name:
N,3-dimethyl-6-oxo-N-phenyl-1-(7H-purin-6-yl)-4,5,
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Mol. Formula:
C20H18N8O2

M.W.:
402.42