Compounds

ALA4206335

Name:
1-((1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl)meth
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Mol. Formula:
C29H27N7O2

M.W.:
505.58

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
90.10

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3752173

Name:
6-benzyl-2-(5-nitrothiophene-2-carboxamido)-4,5,6,
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Mol. Formula:
C20H18N4O4S2

M.W.:
442.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
118.57

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3763165

Name:
N-Cyclohexyl-2-methylbenzo[d]imidazo[2,1-b]thiazol
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Mol. Formula:
C17H19N3OS

M.W.:
313.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
46.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3764694

Name:
N-Benzyl-2-methylbenzo[d]imidazo[2,1-b]thiazole-3-
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Mol. Formula:
C18H15N3OS

M.W.:
321.41

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
46.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3765655

Name:
N-(4-Ethoxyphenyl)-2-methylbenzo[d]imidazo[2,1-b]t
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Mol. Formula:
C19H17N3O2S

M.W.:
351.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3765612

Name:
2-Methyl-N-phenylbenzo[d]imidazo[2,1-b]thiazole-3-
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Mol. Formula:
C17H13N3OS

M.W.:
307.38

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
46.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3765483

Name:
N-(4-Bromophenyl)-2-methylbenzo[d]imidazo[2,1-b]th
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Mol. Formula:
C17H12BrN3OS

M.W.:
386.27

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
46.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3763965

Name:
N-Cyclohexyl-6-methylimidazo[2,1-b]thiazole-5-carb
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Mol. Formula:
C13H17N3OS

M.W.:
263.37

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
46.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3765386

Name:
N-Benzyl-6-methylimidazo[2,1-b]thiazole-5-carboxam
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Mol. Formula:
C14H13N3OS

M.W.:
271.35

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
46.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3763563

Name:
N-(4-Methoxyphenyl)-6-methylimidazo[2,1-b]thiazole
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Cas Number:
672951-44-9

Mol. Formula:
C14H13N3O2S

M.W.:
287.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3765736

Name:
6-Methyl-N-phenylimidazo[2,1-b]thiazole-5-carboxam
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Cas Number:
62772-73-0

Mol. Formula:
C13H11N3OS

M.W.:
257.32

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
46.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3764280

Name:
N-(4-Bromophenyl)-6-methylimidazo[2,1-b]thiazole-5
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Mol. Formula:
C13H10BrN3OS

M.W.:
336.21

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
46.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3764019

Name:
N'-(4-(Dimethylamino)benzylidene)-2-methylbenzo[d]
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Mol. Formula:
C20H19N5OS

M.W.:
377.47

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
62.00

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3763344

Name:
2-Methyl-N'-(3,4,5-trimethoxybenzylidene)benzo[d]i
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Mol. Formula:
C21H20N4O4S

M.W.:
424.48

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
86.45

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3765594

Name:
N'-Benzylidene-2-methylbenzo[d]imidazo[2,1-b]thiaz
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Mol. Formula:
C18H14N4OS

M.W.:
334.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
58.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3764964

Name:
2-Methyl-N'-(4-(trifluoromethyl)benzylidene)benzo[
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Mol. Formula:
C19H13F3N4OS

M.W.:
402.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
58.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3763769

Name:
N'-(4-Bromobenzylidene)-2-methylbenzo[d]imidazo[2,
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Mol. Formula:
C18H13BrN4OS

M.W.:
413.30

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
58.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3763895

Name:
N'-(4-(Dimethylamino)benzylidene)-6-methylimidazo[
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Mol. Formula:
C16H17N5OS

M.W.:
327.41

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
62.00

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3763789

Name:
6-Methyl-N'-(3,4,5-trimethoxybenzylidene)imidazo[2
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Mol. Formula:
C17H18N4O4S

M.W.:
374.42

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
86.45

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3763241

Name:
N'-Benzylidene-6-methylimidazo[2,1-b]thiazole-5-ca
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Mol. Formula:
C14H12N4OS

M.W.:
284.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
58.76

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS