Compounds

ALA1199480

Name:
4-Octylimino-1-[10-(4-octylimino-4H-pyridin-1-yl)-
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Cas Number:
71251-02-0

Mol. Formula:
C36H62N4

M.W.:
550.92

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
9.63

Polar Surface Area:
34.58

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA538749

Name:
Hexyl-(1-hexyl-1H-pyridin-4-ylidene)-amine hydrobr
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Mol. Formula:
C17H31BrN2

M.W.:
343.35

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA538738

Name:
(1-Hexyl-1H-pyridin-4-ylidene)-nonyl-amine hydroch
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Mol. Formula:
C20H37ClN2

M.W.:
340.98

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA555270

Name:
Nonyl-(1-nonyl-1H-pyridin-4-ylidene)-amine hydroch
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Mol. Formula:
C23H43ClN2

M.W.:
383.06

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.89

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA544521

Name:
(1-Nonyl-1H-pyridin-4-ylidene)-octyl-amine hydroch
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Mol. Formula:
C22H41ClN2

M.W.:
369.04

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.50

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA544520

Name:
Heptyl-(1-octyl-1H-pyridin-4-ylidene)-amine hydrob
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Mol. Formula:
C20H37BrN2

M.W.:
385.43

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA544518

Name:
(1-Benzyl-1H-pyridin-4-ylidene)-tetradecyl-amine h
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Mol. Formula:
C26H41ClN2

M.W.:
417.08

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.14

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA544283

Name:
(1-Heptyl-1H-pyridin-4-ylidene)-octyl-amine hydrob
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Mol. Formula:
C20H37BrN2

M.W.:
385.43

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA544048

Name:
[1-(2-Ethyl-hexyl)-1H-pyridin-4-ylidene]-octyl-ami
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Mol. Formula:
C21H39BrN2

M.W.:
399.46

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.97

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA544047

Name:
Dodecyl-(1-methyl-1H-pyridin-4-ylidene)-amine; hyd
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Mol. Formula:
C18H33IN2

M.W.:
404.38

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA543816

Name:
Heptyl-(1-hexyl-1H-pyridin-4-ylidene)-amine hydroc
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Mol. Formula:
C18H33ClN2

M.W.:
312.93

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA554221

Name:
(1-Benzyl-1H-pyridin-4-ylidene)-dodecyl-amine hydr
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Mol. Formula:
C24H37ClN2

M.W.:
389.03

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.36

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA543577

Name:
Methyl-(1-methyl-1H-pyridin-4-ylidene)-amine; hydr
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Mol. Formula:
C7H11IN2

M.W.:
250.08

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.56

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.48

DETAILS

ALA542388

Name:
(1-Heptyl-1H-pyridin-4-ylidene)-hexyl-amine hydroc
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Mol. Formula:
C18H33ClN2

M.W.:
312.93

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA542138

Name:
Nonyl-(1-octyl-1H-pyridin-4-ylidene)-amine hydrobr
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Mol. Formula:
C22H41BrN2

M.W.:
413.49

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.50

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA554185

Name:
[1-(4-Chloro-benzyl)-1H-pyridin-4-ylidene]-octyl-a
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Mol. Formula:
C20H28Cl2N2

M.W.:
367.36

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA542137

Name:
(2-Ethyl-hexyl)-[1-(2-ethyl-hexyl)-1H-pyridin-4-yl
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Mol. Formula:
C21H39BrN2

M.W.:
399.46

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.82

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA545686

Name:
Octyl-(1-octyl-1H-pyridin-4-ylidene)-amine hydroch
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Cas Number:
100227-05-2

Mol. Formula:
C21H39ClN2

M.W.:
355.01

39 activity values

6 unique targets

Type:
Small molecule

AlogP:
6.11

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA544278

Name:
(1-Benzyl-1H-pyridin-4-ylidene)-octyl-amine hydroc
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Mol. Formula:
C20H29ClN2

M.W.:
332.92

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA555777

Name:
Heptyl-(1-nonyl-1H-pyridin-4-ylidene)-amine hydroc
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Mol. Formula:
C21H39ClN2

M.W.:
355.01

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.11

Polar Surface Area:
17.29

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.37

DETAILS