Compounds

ALA4860652

Name:
2-amino-6-chloro-9-(2,6-difluoro-4-methoxybenzyl)-
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Mol. Formula:
C13H10ClF2N5OS

M.W.:
357.77

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.69

Polar Surface Area:
78.85

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4859919

Name:
9-(4-Bromo-2-fluorobenzyl)-6-chloro-9H-purine-2,8-
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Mol. Formula:
C12H9BrClFN6

M.W.:
371.60

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
95.64

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4857569

Name:
2-amino-6-chloro-9-(2-chloro-5-(trifluoromethyl)be
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Mol. Formula:
C13H8Cl2F3N5O

M.W.:
378.14

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4879021

Name:
2-amino-6-chloro-9-(3,4-dichlorobenzyl)-9H-purin-8
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Mol. Formula:
C12H8Cl3N5O

M.W.:
344.59

12 activity values

6 unique targets

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4876871

Name:
2-amino-6-chloro-9-(2-fluoro-4-methylbenzyl)-9H-pu
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Mol. Formula:
C13H11ClFN5S

M.W.:
323.78

11 activity values

6 unique targets

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
69.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4876733

Name:
2-amino-6-chloro-9-(2-chloro-5-(trifluoromethyl)be
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Mol. Formula:
C13H8Cl2F3N5S

M.W.:
394.21

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
69.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4846176

Name:
2-amino-6-chloro-9-(2,6-difluoro-4-methoxybenzyl)-
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Mol. Formula:
C13H10ClF2N5O2

M.W.:
341.71

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.10

Polar Surface Area:
99.08

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4846028

Name:
2-amino-6-chloro-9-(5-chloro-2-fluorobenzyl)-9H-pu
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Mol. Formula:
C12H8Cl2FN5O

M.W.:
328.13

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4866835

Name:
6-Chloro-9-(3-chloro-4-fluorobenzyl)-9H-purine-2,8
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Mol. Formula:
C12H9Cl2FN6

M.W.:
327.15

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
95.64

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4866705

Name:
2-Amino-9-(4-bromo-2-fluorobenzyl)-6-chloro-9H-pur
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Mol. Formula:
C12H8BrClFN5O

M.W.:
372.58

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4865186

Name:
2-amino-6-chloro-9-(2,3,6-trifluorobenzyl)-9H-puri
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Mol. Formula:
C12H7ClF3N5S

M.W.:
345.74

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.82

Polar Surface Area:
69.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4864922

Name:
2-Amino-6-chloro-9-(3,4-dichlorobenzyl)-9H-purine-
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Mol. Formula:
C12H8Cl3N5S

M.W.:
360.66

12 activity values

6 unique targets

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
69.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4864235

Name:
2-Amino-9-(4-bromo-2-fluorobenzyl)-6-chloro-9H-pur
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Mol. Formula:
C12H8BrClFN5S

M.W.:
388.65

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
69.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4863988

Name:
2-Amino-4-chloro-7-(2-fluoro-4-methylbenzyl)-5,7-d
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Mol. Formula:
C14H12ClFN4O

M.W.:
306.73

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.25

Polar Surface Area:
72.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4863672

Name:
2-amino-6-chloro-9-(2-fluoro-4-methylbenzyl)-9H-pu
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Mol. Formula:
C13H11ClFN5O

M.W.:
307.72

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.26

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4854861

Name:
2-Amino-4-chloro-7-(2,3-dimethoxybenzyl)-5,7-dihyd
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Mol. Formula:
C15H15ClN4O3

M.W.:
334.76

5 activity values

4 unique targets

Type:
Unknown

AlogP:
1.82

Polar Surface Area:
90.57

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4853988

Name:
9-((6-Bromobenzo[d][1,3]dioxol-5-yl)methyl)-6-chlo
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Mol. Formula:
C13H10BrClN6O2

M.W.:
397.62

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
114.10

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4853048

Name:
2-Amino-6-chloro-9-(3-chloro-4-fluorobenzyl)-9H-pu
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Mol. Formula:
C12H8Cl2FN5S

M.W.:
344.20

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
69.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4871630

Name:
2-Amino-4-chloro-7-(3,4-dichlorobenzyl)-5,7-dihydr
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Mol. Formula:
C13H9BrClFN4O

M.W.:
371.60

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.70

Polar Surface Area:
72.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4870963

Name:
2-Amino-4-chloro-7-(2-chloro-5-(trifluoromethyl)be
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Mol. Formula:
C14H9Cl2F3N4O

M.W.:
377.15

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
72.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS