Compounds

ALA4474655

Name:
4-(1H-indazol-3-yl)-N-((S)-piperidin-3-yl)-5-(trif
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Mol. Formula:
C17H17F3N6

M.W.:
362.36

9 activity values

9 unique targets

Type:
Unknown

AlogP:
3.20

Polar Surface Area:
78.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4533453

Name:
5-chloro-4-(1H-indol-3-yl)-N-((R)-piperidin-3-yl)p
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Mol. Formula:
C17H18ClN5

M.W.:
327.82

9 activity values

9 unique targets

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
65.63

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4555799

Name:
5-chloro-4-(1H-indol-3-yl)-N-((S)-piperidin-3-yl)p
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Mol. Formula:
C17H18ClN5

M.W.:
327.82

20 activity values

12 unique targets

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
65.63

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4552441

Name:
N-((1H-indazol-4-yl)methyl)-8-isopropyl-2-(piperid
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Mol. Formula:
C21H26N8O

M.W.:
406.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
105.05

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4744880

Name:
(R)-N-(4-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-
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Mol. Formula:
C26H25ClN6O

M.W.:
472.98

5 activity values

5 unique targets

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
85.94

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5281785

Name:
(R)-N-(5-(5-((2-hydroxy-2-phenylethyl)amino)pyridi
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Mol. Formula:
C27H23N5O2

M.W.:
449.51

Type:
---

AlogP:
5.02

Polar Surface Area:
102.93

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5280467

Name:
(R)-N-(5-(5-((3-hydroxy-2-phenylpropyl)amino)pyrid
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Mol. Formula:
C28H25N5O2

M.W.:
463.54

Type:
---

AlogP:
5.07

Polar Surface Area:
102.93

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5278281

Name:
5-(3-benzamido-1H-indazol-5-yl)-N-methylnicotinami
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Mol. Formula:
C21H17N5O2

M.W.:
371.40

Type:
---

AlogP:
3.24

Polar Surface Area:
99.77

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5287678

Name:
(S)-N-(5-(5-(2-amino-2-phenylacetamido)pyridin-3-y
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Mol. Formula:
C27H22N6O2

M.W.:
462.51

Type:
---

AlogP:
4.52

Polar Surface Area:
125.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5287087

Name:
N-(5-(5-((2-aminoethyl)amino)pyridin-3-yl)-1H-inda
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Mol. Formula:
C21H20N6O

M.W.:
372.43

Type:
---

AlogP:
3.25

Polar Surface Area:
108.72

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5287079

Name:
(S)-N-(5-(5-(2-amino-2-phenylethoxy)pyridin-3-yl)-
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Mol. Formula:
C27H23N5O2

M.W.:
449.51

Type:
---

AlogP:
4.96

Polar Surface Area:
105.92

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5286971

Name:
N-(5-(5-methoxypyridin-3-yl)-1H-indazol-3-yl)benza
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Mol. Formula:
C20H16N4O2

M.W.:
344.37

Type:
---

AlogP:
3.89

Polar Surface Area:
79.90

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5286683

Name:
(R)-4-acrylamido-N-(5-(5-((2-hydroxy-2-phenylethyl
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Mol. Formula:
C30H26N6O3

M.W.:
518.58

Type:
---

AlogP:
5.15

Polar Surface Area:
132.03

HBA:
6

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5285145

Name:
(R)-N-(5-(5-(2-amino-3-phenylpropoxy)pyridin-3-yl)
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Mol. Formula:
C28H25N5O2

M.W.:
463.54

Type:
---

AlogP:
4.83

Polar Surface Area:
105.92

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5284748

Name:
(S)-N-(5-(5-((3-amino-2-phenylpropyl)amino)pyridin
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Mol. Formula:
C28H26N6O

M.W.:
462.56

Type:
---

AlogP:
5.03

Polar Surface Area:
108.72

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5291397

Name:
N-(5-(5-hydroxypyridin-3-yl)-1H-indazol-3-yl)benza
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Mol. Formula:
C19H14N4O2

M.W.:
330.35

Type:
---

AlogP:
3.58

Polar Surface Area:
90.90

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5290719

Name:
(R)-N-(5-(5-(2-amino-2-phenylethoxy)pyridin-3-yl)-
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Mol. Formula:
C27H23N5O2

M.W.:
449.51

Type:
---

AlogP:
4.96

Polar Surface Area:
105.92

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5290362

Name:
(S)-N-(5-(5-(2-amino-3-phenylpropoxy)pyridin-3-yl)
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Mol. Formula:
C28H25N5O2

M.W.:
463.54

Type:
---

AlogP:
4.83

Polar Surface Area:
105.92

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5290154

Name:
N-(5-(5-methylpyridin-3-yl)-1H-indazol-3-yl)benzam
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Mol. Formula:
C20H16N4O

M.W.:
328.38

Type:
---

AlogP:
4.19

Polar Surface Area:
70.67

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5289703

Name:
N-(5-(5-aminopyridin-3-yl)-1H-indazol-3-yl)benzami
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Mol. Formula:
C19H15N5O

M.W.:
329.36

Type:
---

AlogP:
3.46

Polar Surface Area:
96.69

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS