Compounds

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4860810

Name:
(S)-4-(2-(6-ethoxypyridin-3-yl)hydrazinyl)-5-fluor
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Mol. Formula:
C22H20F2N6O

M.W.:
422.44

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
84.85

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4860741

Name:
(S)-N2-(1-cyclohexylethyl)-N4-(5-ethyl-1H-pyrazol-
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Mol. Formula:
C21H28N6

M.W.:
364.50

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4860406

Name:
(S)-N4-(5-ethyl-1H-pyrazol-3-yl)-N2-(1-(4-fluoroph
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Mol. Formula:
C22H23FN6O

M.W.:
406.47

Type:
Unknown

AlogP:
4.98

Polar Surface Area:
87.75

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4860332

Name:
N2-(4-chloro-2-methoxybenzyl)-N4-(5-ethyl-1H-pyraz
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Mol. Formula:
C22H23ClN6O

M.W.:
422.92

5 activity values

3 unique targets

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
87.75

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4860235

Name:
5-fluoro-4-(2-(isoxazol-3-yl)hydrazinyl)-N-pheneth
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Mol. Formula:
C19H16FN5O

M.W.:
349.37

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
75.87

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4860226

Name:
(S)-N4-(5-ethyl-1H-pyrazol-3-yl)-6-fluoro-N2-(1-(4
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Mol. Formula:
C21H20F2N6

M.W.:
394.43

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4858397

Name:
N4-(5-ethyl-1H-pyrazol-3-yl)-N2-(4-fluorophenethyl
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Mol. Formula:
C21H21FN6

M.W.:
376.44

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4857672

Name:
(S)-4-(2-(1-ethyl-1H-imidazol-4-yl)hydrazinyl)-5-f
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Mol. Formula:
C20H19F2N7

M.W.:
395.42

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
80.55

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4856820

Name:
N4-(5-ethyl-1H-pyrazol-3-yl)-N2-(4-fluorobenzyl)qu
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Mol. Formula:
C20H19FN6

M.W.:
362.41

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4856240

Name:
N4-(5-ethyl-1H-pyrazol-3-yl)-6-fluoro-N2-(4-fluoro
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Mol. Formula:
C21H20F2N6

M.W.:
394.43

Type:
Unknown

AlogP:
4.59

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4877302

Name:
N2-(4-chloro-2-methoxybenzyl)-N4-(5-ethyl-1H-pyraz
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Mol. Formula:
C22H23ClN6O2

M.W.:
438.92

40 activity values

19 unique targets

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
96.98

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4876835

Name:
N2-(1-(4-chlorophenyl)cyclopropyl)-N4-(5-ethyl-1H-
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Mol. Formula:
C22H21ClN6

M.W.:
404.91

Type:
Unknown

AlogP:
5.41

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4876138

Name:
N4-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-N2-(4-fluoro
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Mol. Formula:
C21H20F2N6

M.W.:
394.43

Type:
Unknown

AlogP:
4.59

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4876072

Name:
N4-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-N2-phenethyl
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Mol. Formula:
C21H21FN6

M.W.:
376.44

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4875929

Name:
(S)-N4-(3-Ethyl-1H-pyrazol-5-yl)-N2-(1-(5-fluoropy
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Mol. Formula:
C21H22FN7

M.W.:
391.45

7 activity values

4 unique targets

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
91.41

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4875743

Name:
(S)-N4-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-N2-(1-(5
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Mol. Formula:
C19H18F2N8

M.W.:
396.40

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
104.30

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4875677

Name:
N4-(5-ethyl-1H-pyrazol-3-yl)-N2-(4-fluorophenethyl
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Mol. Formula:
C22H23FN6O

M.W.:
406.47

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
87.75

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4875533

Name:
4-(2-(1H-pyrazol-3-yl)hydrazinyl)-5-fluoro-N-phene
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Mol. Formula:
C19H17FN6

M.W.:
348.39