Compounds

ALA2332871

Name:
1-(2-Chloro-4-trifluoromethyl-phenyl)-3-[4-(1H-pyr
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Mol. Formula:
C19H12ClF3N6O2

M.W.:
448.79

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.46

Polar Surface Area:
104.82

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2332870

Name:
1-(3,5-Bis-trifluoromethyl-phenyl)-3-[4-(1H-pyrazo
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Mol. Formula:
C20H12F6N6O2

M.W.:
482.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
104.82

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2332869

Name:
1-[4-(1H-Pyrazolo[3,4-d]pyrimidin-4-yloxy)-phenyl]
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Mol. Formula:
C19H13F3N6O3

M.W.:
430.35

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
114.05

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2332868

Name:
1-(3-Fluoro-phenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimi
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Mol. Formula:
C18H13FN6O2

M.W.:
364.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
104.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2332867

Name:
1-(3-Isopropyl-phenyl)-3-[4-(1H-pyrazolo[3,4-d]pyr
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Mol. Formula:
C21H20N6O2

M.W.:
388.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
104.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2332866

Name:
1-(4-Morpholin-4-yl-phenyl)-3-[4-(1H-pyrazolo[3,4-
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Mol. Formula:
C22H21N7O3

M.W.:
431.46

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
117.29

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2332865

Name:
1-(4-Fluoro-phenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimi
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Mol. Formula:
C18H13FN6O2

M.W.:
364.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
104.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2332864

Name:
1-Cyclohexylmethyl-3-[4-(1H-pyrazolo[3,4-d]pyrimid
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Mol. Formula:
C19H22N6O2

M.W.:
366.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
104.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2332863

Name:
1-Cyclohexyl-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-y
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Mol. Formula:
C18H20N6O2

M.W.:
352.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
104.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2332862

Name:
1-(1-Phenyl-ethyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimid
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Mol. Formula:
C20H18N6O2

M.W.:
374.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
104.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2332861

Name:
1-[4-(1H-Pyrazolo[3,4-d]pyrimidin-4-yloxy)-phenyl]
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Mol. Formula:
C17H13N7O2

M.W.:
347.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
117.71

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2332860

Name:
1-Phenyl-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy
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Mol. Formula:
C18H14N6O2

M.W.:
346.35

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
104.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2332859

Name:
2-(4-Bromo-phenyl)-N-[4-(1H-pyrazolo[3,4-d]pyrimid
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Mol. Formula:
C19H14BrN5O2

M.W.:
424.26

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2332858

Name:
4-Bromo-N-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)
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Mol. Formula:
C18H12BrN5O2

M.W.:
410.23

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2332857

Name:
4-Bromo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)
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Mol. Formula:
C18H12BrN5O2

M.W.:
410.23

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2332856

Name:
N-[3-(1H-Pyrazolo[3,4-d]pyrimidin-4-yloxy)-phenyl]
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Mol. Formula:
C19H12F3N5O2

M.W.:
399.33

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2332855

Name:
2-(4-Bromo-phenyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimid
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Mol. Formula:
C19H14BrN5O2

M.W.:
424.26

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2332854

Name:
N-[3-(1H-Pyrazolo[3,4-d]pyrimidin-4-yloxy)-phenyl]
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Mol. Formula:
C20H14F3N5O2

M.W.:
413.36

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2332853

Name:
1-(4-Bromo-phenyl)-3-[3-(1H-pyrazolo[3,4-d]pyrimid
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Mol. Formula:
C18H13BrN6O2

M.W.:
425.25

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
104.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2332852

Name:
1-[3-(1H-Pyrazolo[3,4-d]pyrimidin-4-yloxy)-phenyl]
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Mol. Formula:
C19H13F3N6O2

M.W.:
414.35

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
104.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS