Compounds

ALA5196629

Name:
4-[3-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin
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Mol. Formula:
C19H12F2N2O2

M.W.:
338.31

1 activity values

1 unique targets

Type:
---

AlogP:
4.59

Polar Surface Area:
69.14

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4292553

Name:
4-(3-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-y
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Cas Number:
1614314-22-5

Mol. Formula:
C19H13FN2O2

M.W.:
320.32

29 activity values

15 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
69.14

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4290278

Name:
7-(2-hydroxyethylamino)-3H-pyrazolo[4,3-f]quinazol
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Mol. Formula:
C11H11N5O2

M.W.:
245.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.20

Polar Surface Area:
106.69

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4279616

Name:
methyl 8-cyclopropyl-9-oxo-8,9-dihydrothiazolo[5,4
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Mol. Formula:
C14H12N4O2S

M.W.:
300.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
80.86

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3102957

Name:
3-Phenyl-5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]
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Mol. Formula:
C19H14N2O2

M.W.:
302.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
69.14

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3102956

Name:
3,5-Di-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine

Mol. Formula:
C19H14N2O2

M.W.:
302.33

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
69.14

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3102954

Name:
3-(3,4-Dihydroxyphenyl)-5-(2,5-dihydroxyphenyl)-1H
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Mol. Formula:
C19H14N2O4

M.W.:
334.33

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
109.60

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3102949

Name:
3,5-Di-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

Mol. Formula:
C21H18N2O2

M.W.:
330.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
47.14

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3102948

Name:
3,5-Di-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyri
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Mol. Formula:
C23H22N2O4

M.W.:
390.44

61 activity values

47 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
65.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3102947

Name:
3-(3,4-Dimethoxyphenyl)-5-(2,5-dimethoxyphenyl)-1H
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Mol. Formula:
C23H22N2O4

M.W.:
390.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
65.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3102946

Name:
3-(3,4-Dimethoxyphenyl)-5-(2,4-dimethoxyphenyl)-1H
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Mol. Formula:
C23H22N2O4

M.W.:
390.44

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
65.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3102945

Name:
3-(4-Methoxyphenyl)-5-(3,4-dimethoxyphenyl)-1H-pyr
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Mol. Formula:
C22H20N2O3

M.W.:
360.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
56.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3102944

Name:
3-(4-Methoxyphenyl)-5-(2,4-dimethoxyphenyl)-1H-pyr
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Mol. Formula:
C22H20N2O3

M.W.:
360.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
56.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3102943

Name:
3,5-Di-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

Mol. Formula:
C21H18N2O2

M.W.:
330.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
47.14

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3102942

Name:
3-Phenyl-5-(3,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]
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Mol. Formula:
C19H14N2O2

M.W.:
302.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
69.14

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3102941

Name:
3-Phenyl-5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]
Show More⌵

Mol. Formula:
C21H18N2O2

M.W.:
330.39

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
47.14

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3102940

Name:
3-Phenyl-5-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]
Show More⌵

Mol. Formula:
C21H18N2O2

M.W.:
330.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
47.14

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3102939

Name:
3-Phenyl-5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyri
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Mol. Formula:
C19H14N2O

M.W.:
286.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
48.91

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3102938

Name:
3-Phenyl-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyri
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Mol. Formula:
C20H16N2O

M.W.:
300.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
37.91

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3102937

Name:
3-Phenyl-5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyri
Show More⌵

Mol. Formula:
C19H14N2O

M.W.:
286.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
48.91

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS