Compounds

ALA2288607

Name:
5-tert-butyl-N-(3-hydroxyphenyl)-2-pyrazinecarboxa
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Mol. Formula:
C15H17N3O2

M.W.:
271.32

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
75.11

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2288606

Name:
5-tert-butyl-6-chloro-N-(3-chloro-5-hydroxyphenyl)
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Cas Number:
448191-21-7

Mol. Formula:
C15H15Cl2N3O2

M.W.:
340.21

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
75.11

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA2288605

Name:
2-octylthio-4-pyridinecarbothioamide

Mol. Formula:
C14H22N2S2

M.W.:
282.48

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
38.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA448573

Name:
5-tert-Butyl-6-chloro-N-p-tolylpyrazine-2-carboxam
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Mol. Formula:
C16H18ClN3O

M.W.:
303.79

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA496157

Name:
5-tert-Butyl-6-chloro-N-(3-trifluoromethylphenyl)p
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Mol. Formula:
C16H15ClF3N3O

M.W.:
357.76

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA523239

Name:
5-tert-Butyl-6-chloro-N-(2-trifluoromethylphenyl)p
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Mol. Formula:
C16H15ClF3N3O

M.W.:
357.76

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA495542

Name:
5-tert-Butyl-6-chloro-N-(4-fluorophenyl)pyrazine-2
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Mol. Formula:
C15H15ClFN3O

M.W.:
307.76

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA523893

Name:
5-tert-Butyl-6-chloro-N-(2-chloro-5-hydroxyphenyl)
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Mol. Formula:
C15H15Cl2N3O2

M.W.:
340.21

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
75.11

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA498409

Name:
5-tert-Butyl-N-p-tolylpyrazine-2-carboxamide

Mol. Formula:
C16H19N3O

M.W.:
269.35

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA526290

Name:
5-tert-Butyl-N-(3-trifluoromethylphenyl)pyrazine-2
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Mol. Formula:
C16H16F3N3O

M.W.:
323.32

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA498408

Name:
5-tert-Butyl-N-(2-trifluoromethylphenyl)pyrazine-2
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Mol. Formula:
C16H16F3N3O

M.W.:
323.32

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA496552

Name:
5-tert-Butyl-N-(4-fluorophenyl)pyrazine-2-carboxam
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Mol. Formula:
C15H16FN3O

M.W.:
273.31

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA496551

Name:
5-tert-Butyl-N-(2-chlor-5-hydroxyphenyl)pyrazine-2
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Mol. Formula:
C15H16ClN3O2

M.W.:
305.77

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
75.11

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA496349

Name:
6-Chloro-N-p-tolylpyrazine-2-carboxamide

Mol. Formula:
C12H10ClN3O

M.W.:
247.69

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.89

DETAILS

ALA496348

Name:
6-Chloro-N-(3-trifluoromethylphenyl)pyrazine-2-car
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Mol. Formula:
C12H7ClF3N3O

M.W.:
301.66

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA523740

Name:
6-Chloro-N-(2-trifluoromethylphenyl)pyrazine-2-car
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Mol. Formula:
C12H7ClF3N3O

M.W.:
301.66

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA496182

Name:
6-Chloro-N-(4-fluorophenyl)pyrazine-2-carboxamide

Mol. Formula:
C11H7ClFN3O

M.W.:
251.65

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.89

DETAILS

ALA491049

Name:
6-Chloro-N-(2-chloro-5-hydroxyphenyl)pyrazine-2-ca
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Mol. Formula:
C11H7Cl2N3O2

M.W.:
284.10

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
75.11

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA454549

Name:
N-p-tolylpyrazine-2-carboxamide

Mol. Formula:
C12H11N3O

M.W.:
213.24

23 activity values

15 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA510601

Name:
N-(3-Trifluoromethylphenyl)pyrazine-2-carboxamide

Cas Number:
81172-86-3

Mol. Formula:
C12H8F3N3O

M.W.:
267.21

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
54.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.91

DETAILS