Compounds

ALA1631468

Name:
4-Amino-N-propyl-8-(pyrimidin-2-yl)cinnoline-3-car
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Cas Number:
1261980-50-0

Mol. Formula:
C16H16N6O

M.W.:
308.35

12 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
106.68

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1631467

Name:
4-Amino-8-(5-(azetidine-1-carbonyl)pyridin-3-yl)-N
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Mol. Formula:
C21H22N6O2

M.W.:
390.45

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
114.10

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1631466

Name:
9-Amino-2-cyclobutyl-5-(pyrimidin-2-yl)-2,3-dihydr
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Mol. Formula:
C19H17N5O

M.W.:
331.38

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
85.00

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1080575

Name:
1-((3-bromo-10-methyl-9H-benzo[f]imidazo[1,5-a][1,
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Mol. Formula:
C18H17BrN6O

M.W.:
413.28

17 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
68.84

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA379996

Name:
2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phen
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Mol. Formula:
C19H15N7OS

M.W.:
389.44

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
83.02

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA208940

Name:
3-(2-fluorophenyl)-7-(furan-3-yl)-2-((2-methyl-2H-
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Mol. Formula:
C19H14FN7O2

M.W.:
391.37

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
96.16

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA378201

Name:
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3
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Mol. Formula:
C19H14FN9O

M.W.:
403.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
108.80

HBA:
10

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA378217

Name:
3-(2-fluorophenyl)-7-(furan-2-yl)-2-((2-methyl-2H-
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Mol. Formula:
C19H14FN7O2

M.W.:
391.37

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
96.16

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA212637

Name:
3-(2-fluoro-phenyl)-2-(2-methyl-2H-[1,2,4]triazol-
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Mol. Formula:
C19H15FN9O+

M.W.:
404.39

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
99.79

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA212008

Name:
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3
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Mol. Formula:
C20H15FN8O

M.W.:
402.39

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
95.91

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA377187

Name:
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3
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Mol. Formula:
C20H15FN8O

M.W.:
402.39

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
95.91

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA426860

Name:
7-(2-fluorophenyl)-3-(4-fluorophenyl)-2-((2-methyl
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Mol. Formula:
C21H15F2N7O

M.W.:
419.40

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
83.02

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA210400

Name:
3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3
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Mol. Formula:
C20H15FN8O

M.W.:
402.39

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
95.91

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA377533

Name:
7-(2-chlorophenyl)-3-(2-fluorophenyl)-2-((2-methyl
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Mol. Formula:
C21H15ClFN7O

M.W.:
435.85

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
83.02

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA208998

Name:
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3
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Mol. Formula:
C20H15FN8O

M.W.:
402.39

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
95.91

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA379788

Name:
3-(7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazo
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Mol. Formula:
C21H17FN8O

M.W.:
416.42

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
109.04

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA210769

Name:
(3-(7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triaz
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Mol. Formula:
C22H18FN7O2

M.W.:
431.43

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
103.25

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA208863

Name:
3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3
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Mol. Formula:
C21H13F4N7O

M.W.:
455.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
83.02

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA380110

Name:
7-(2-fluorophenyl)-3-(furan-2-yl)-2-((2-methyl-2H-
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Mol. Formula:
C19H14FN7O2

M.W.:
391.37

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
96.16

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA208844

Name:
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3
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Mol. Formula:
C22H15F4N7O

M.W.:
469.40

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
83.02

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS