Compounds

ALA4878917

Name:
1-(3-(3-chloro-5-fluorophenyl)-5-(5-fluoro-1H-benz
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Mol. Formula:
C23H20ClF2N5

M.W.:
439.90

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
70.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4878248

Name:
4-(4-aminopiperidin-1-yl)-N-(3,5-dimethylbenzyl)-5
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Mol. Formula:
C27H34N4

M.W.:
414.60

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.52

Polar Surface Area:
54.18

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4876263

Name:
1-(3-(5-fluoro-1H-benzo[d]imidazol-2-yl)-5-(3-fluo
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Mol. Formula:
C24H23F2N5O

M.W.:
435.48

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
80.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4873269

Name:
1-(3-(3-fluoro-5-methoxyphenyl)-5-(5-methyl-1H-ben
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Mol. Formula:
C25H26FN5O

M.W.:
431.52

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
80.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4872591

Name:
1-(3-(3,5-dimethylphenyl)-5-(5-methyl-1H-benzo[d]i
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Mol. Formula:
C26H29N5

M.W.:
411.55

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.14

Polar Surface Area:
70.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4870834

Name:
N-(4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl
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Mol. Formula:
C22H24Cl2N6O

M.W.:
459.38

14 activity values

4 unique targets

Type:
Unknown

AlogP:
4.28

Polar Surface Area:
89.07

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4868777

Name:
1-(3,5-bis(3,5-dimethylphenyl)pyridin-4-yl)piperid
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Mol. Formula:
C26H31N3

M.W.:
385.56

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.58

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5286879

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylp
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Mol. Formula:
C28H25FN4O

M.W.:
452.53

Type:
---

AlogP:
5.52

Polar Surface Area:
86.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5286792

Name:
1-(3-(3,5-difluorophenyl)-6-(3-fluorophenyl)quinol
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Mol. Formula:
C26H22F3N3

M.W.:
433.48

Type:
---

AlogP:
5.91

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5286495

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3,4-difluorophenyl
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Mol. Formula:
C27H22F2N4O

M.W.:
456.50

Type:
---

AlogP:
5.35

Polar Surface Area:
86.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5286126

Name:
1-(3-(3,5-difluorophenyl)-6-phenylquinolin-4-yl)pi
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Mol. Formula:
C26H23F2N3

M.W.:
415.49

Type:
---

AlogP:
5.77

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5286005

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methoxy
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Mol. Formula:
C28H25FN4O2

M.W.:
468.53

Type:
---

AlogP:
5.22

Polar Surface Area:
95.40

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5285564

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3-cyano-5-fluoroph
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Mol. Formula:
C28H22FN5O

M.W.:
463.52

Type:
---

AlogP:
5.08

Polar Surface Area:
109.96

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5283444

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl
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Mol. Formula:
C26H23F2N3O

M.W.:
431.49

Type:
---

AlogP:
5.48

Polar Surface Area:
62.38

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5279994

Name:
2-(4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl
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Mol. Formula:
C26H22F3N3O

M.W.:
449.48

Type:
---

AlogP:
5.62

Polar Surface Area:
62.38

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5279978

Name:
N-(2-aminoethyl)-3-(3,5-dimethylphenyl)-5-(5-hydro
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Mol. Formula:
C26H25N3O2

M.W.:
411.51

Type:
---

AlogP:
4.58

Polar Surface Area:
88.24

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5279790

Name:
2-(4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl
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Mol. Formula:
C26H23F2N3O

M.W.:
431.49

Type:
---

AlogP:
5.48

Polar Surface Area:
62.38

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5279239

Name:
3-(4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl
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Mol. Formula:
C27H24F2N4O

M.W.:
458.51

Type:
---

AlogP:
4.87

Polar Surface Area:
85.24

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5278345

Name:
1-(3-(3,5-difluorophenyl)-6-(3-methoxyphenyl)quino
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Mol. Formula:
C27H25F2N3O

M.W.:
445.51

Type:
---

AlogP:
5.78

Polar Surface Area:
51.38

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4866325

Name:
1-(3-(3,5-dimethylphenyl)-5-(5-fluoro-1H-benzo[d]i
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Mol. Formula:
C25H26FN5

M.W.:
415.52

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.98

Polar Surface Area:
70.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS