Compounds

ALA3715906

Name:
5-(3-ethylbenzo[d]isoxazol-6-yl)-7-oxo-4,7-dihydro
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Mol. Formula:
C16H13N5O3

M.W.:
323.31

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
119.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3716317

Name:
5-(3-methylbenzo[d]isoxazol-6-yl)-7-oxo-4,7-dihydr
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Mol. Formula:
C15H11N5O3

M.W.:
309.29

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
119.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3715030

Name:
5-(3-ethylbenzo[d]isoxazol-6-yl)-3-(5-methyloxazol
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Mol. Formula:
C19H15N5O3

M.W.:
361.36

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
102.22

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3715861

Name:
5-(3-Ethylbenzo[d]isoxazol-6-yl)-3-(oxazol-2-yl)py
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Mol. Formula:
C18H13N5O3

M.W.:
347.33

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
102.22

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3716198

Name:
5-(3-Methylbenzo[d]isoxazol-6-yl)-3-(5-methyloxazo
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Mol. Formula:
C18H13N5O3

M.W.:
347.33

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
102.22

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3719371

Name:
5-(3-methylbenzo[d]isoxazol-6-yl)-3-(oxazol-2-yl)p
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Mol. Formula:
C17H11N5O3

M.W.:
333.31

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
102.22

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3718189

Name:
5-(4-chloro-3-methoxyphenyl)-2-ethyl-3-(3-methyl-1
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Mol. Formula:
C18H16ClN5O3

M.W.:
385.81

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
98.31

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3718403

Name:
5-(1-ethyl-1H-indazol-5-yl)-3-(3-methyl-1,2,4-oxad
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Mol. Formula:
C21H21N7O2

M.W.:
403.45

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
106.90

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3717514

Name:
5-(1-ethyl-1H-indazol-5-yl)-2-methyl-3-(3-methyl-1
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Mol. Formula:
C19H17N7O2

M.W.:
375.39

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
106.90

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3718864

Name:
2-ethyl-5-(1-ethyl-1H-indazol-5-yl)-3-(3-methyl-1,
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Mol. Formula:
C20H19N7O2

M.W.:
389.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
106.90

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3717628

Name:
5-(5-chloropyridin-2-yl)-3-(1,3-oxazol-2-yl)-4H,7H
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Mol. Formula:
C14H8ClN5O2

M.W.:
313.70

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
89.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3719175

Name:
5-(1-ethyl-1H-indazol-6-yl)-3-(5-methyloxazol-2-yl
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Mol. Formula:
C19H16N6O2

M.W.:
360.38

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
94.01

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3717387

Name:
5-(1-Ethyl-1H-indazol-6-yl)-3-(3-methyl-1,2,4-oxad
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Mol. Formula:
C18H15N7O2

M.W.:
361.37

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
106.90

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3714854

Name:
5-(3-methylbenzo[d]isoxazol-5-yl)-3-(oxazol-2-yl)p
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Mol. Formula:
C17H11N5O3

M.W.:
333.31

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
102.22

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3717167

Name:
5-(1-ethyl-1H-indazol-6-yl)-3-(oxazol-2-yl)pyrazol
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Mol. Formula:
C18H14N6O2

M.W.:
346.35

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
94.01

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3715586

Name:
5-(1-methyl-1H-indazol-5-yl)-7-oxo-4H,7H-pyrazolo[
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Mol. Formula:
C15H10N6O

M.W.:
290.29

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.45

Polar Surface Area:
91.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3717161

Name:
5-(1-Methyl-1H-indazol-5-yl)-3-(5-methyloxazol-2-y
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Mol. Formula:
C18H14N6O2

M.W.:
346.35

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.54

Polar Surface Area:
94.01

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3715488

Name:
5-(4-Chlorophenyl)-3-(5-methylthiazol-2-yl)pyrazol
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Mol. Formula:
C16H11ClN4OS

M.W.:
342.81

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3714862

Name:
5-(1-Ethyl-3-methyl-1H-indazol-5-yl)-3-(5-methylox
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Mol. Formula:
C20H18N6O2

M.W.:
374.40

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
94.01

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3718646

Name:
3-(5-methyloxazol-2-yl)-5-(1-propyl-1H-indazol-5-y
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Mol. Formula:
C20H18N6O2

M.W.:
374.40

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
94.01

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS