Compounds

ALA4086946

Name:
6-Benzyl-3-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-
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Mol. Formula:
C18H14N4O

M.W.:
302.34

26 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
63.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA440977

Name:
5-butyl-1-(2,6-dichlorophenyl)-1H-1,2,3-triazole

Mol. Formula:
C12H13Cl2N3

M.W.:
270.16

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA236432

Name:
4-butyl-1-(2,6-dichlorophenyl)-1H-1,2,3-triazole

Mol. Formula:
C12H13Cl2N3

M.W.:
270.16

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA393487

Name:
5-butyl-1-(4-(trifluoromethyl)phenyl)-1H-1,2,3-tri
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Mol. Formula:
C13H14F3N3

M.W.:
269.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA441139

Name:
1-(4-bromophenyl)-5-butyl-1H-1,2,3-triazole

Mol. Formula:
C12H14BrN3

M.W.:
280.17

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA237695

Name:
1-(4-bromophenyl)-4-butyl-1H-1,2,3-triazole

Mol. Formula:
C12H14BrN3

M.W.:
280.17

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA392618

Name:
1-(4-bromo-2,6-dichlorophenyl)-5-butyl-1H-1,2,3-tr
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Mol. Formula:
C12H12BrCl2N3

M.W.:
349.06

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA237487

Name:
1-(4-bromo-2,6-dichlorophenyl)-4-butyl-1H-1,2,3-tr
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Mol. Formula:
C12H12BrCl2N3

M.W.:
349.06

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA392617

Name:
5-butyl-1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazol
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Mol. Formula:
C12H12Cl3N3

M.W.:
304.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA237486

Name:
4-butyl-1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazol
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Mol. Formula:
C12H12Cl3N3

M.W.:
304.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA237278

Name:
5-butyl-1-(4-ethynylphenyl)-1H-1,2,3-triazole

Mol. Formula:
C14H15N3

M.W.:
225.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA437753

Name:
4-butyl-1-(2,6-dichloro-4-ethynylphenyl)-1H-1,2,3-
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Mol. Formula:
C14H13Cl2N3

M.W.:
294.19

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA235787

Name:
3-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-pheny
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Mol. Formula:
C15H9Cl2F3N4

M.W.:
373.17

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
56.73

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA235785

Name:
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-pheny
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Mol. Formula:
C15H8Cl2F3N3

M.W.:
358.15

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.26

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA397814

Name:
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-pheny
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Mol. Formula:
C15H8Cl2F3N3

M.W.:
358.15

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.26

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA235578

Name:
4-(3-chloropropyl)-1-(2,6-dichloro-4-(trifluoromet
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Mol. Formula:
C12H9Cl3F3N3

M.W.:
358.58

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA397813

Name:
4-cyclohexyl-1-(2,6-dichloro-4-(trifluoromethyl)ph
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Mol. Formula:
C15H14Cl2F3N3

M.W.:
364.20

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.64

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA235577

Name:
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-hexyl
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Mol. Formula:
C15H16Cl2F3N3

M.W.:
366.21

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA396110

Name:
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-hexyl
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Mol. Formula:
C15H16Cl2F3N3

M.W.:
366.21

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA236209

Name:
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-penty
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Mol. Formula:
C14H14Cl2F3N3

M.W.:
352.19

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.33

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS