Compounds

ALA492900

Name:
4-[2-Amino-5-methyl-6-(4-methylpiperazin-1-yl)pyri
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Mol. Formula:
C17H20N6

M.W.:
308.39

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
82.07

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA442865

Name:
4-(3-Iodophenyl)-6-(4-methylpiperazin-1-yl)pyrimid
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Mol. Formula:
C15H18IN5

M.W.:
395.25

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
58.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA492288

Name:
4-(4-Iodophenyl)-6-(4-methylpiperazin-1-yl)pyrimid
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Mol. Formula:
C15H18IN5

M.W.:
395.25

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
58.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA492287

Name:
4-(3-Chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrim
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Mol. Formula:
C15H18ClN5

M.W.:
303.80

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
58.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA493720

Name:
4-(4-Chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrim
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Mol. Formula:
C15H18ClN5

M.W.:
303.80

7 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
58.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA522679

Name:
4-(2,6-Dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)
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Mol. Formula:
C17H23N5O2

M.W.:
329.40

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
76.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA493719

Name:
4-(2-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyri
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Mol. Formula:
C16H21N5O

M.W.:
299.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
67.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA494724

Name:
4-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyri
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Mol. Formula:
C16H21N5O

M.W.:
299.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
67.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA494648

Name:
4-(4-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyri
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Mol. Formula:
C16H21N5O

M.W.:
299.38

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
67.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA494723

Name:
4-(4-Methylpiperazin-1-yl)-6-o-tolylpyrimidin-2-yl
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Mol. Formula:
C16H21N5

M.W.:
283.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
58.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA492274

Name:
4-(4-Methylpiperazin-1-yl)-6-m-tolylpyrimidin-2-yl
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Mol. Formula:
C16H21N5

M.W.:
283.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
58.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA492885

Name:
4-(4-Methylpiperazin-1-yl)-6-p-tolylpyrimidin-2-yl
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Cas Number:
1028327-67-4

Mol. Formula:
C16H21N5

M.W.:
283.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
58.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA502104

Name:
6-(4-Methylpiperazin-1-yl)-N4-phenylpyrimidine-2,4
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Mol. Formula:
C15H20N6

M.W.:
284.37

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.55

Polar Surface Area:
70.31

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA492869

Name:
4,6-Bis-(4-methylpiperazin-1-yl)pyrimidin-2-ylamin
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Mol. Formula:
C14H25N7

M.W.:
291.40

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.44

Polar Surface Area:
64.76

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA444484

Name:
4-(4-Methylpiperazin-1-yl)-6-morpholin-4-ylpyrimid
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Mol. Formula:
C13H22N6O

M.W.:
278.36

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.35

Polar Surface Area:
70.75

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA444782

Name:
4-(4-Methylpiperazin-1-yl)-6-piperidin-1-ylpyrimid
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Mol. Formula:
C14H24N6

M.W.:
276.39

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.80

Polar Surface Area:
61.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA492663

Name:
4-(3-Dimethylaminopyrrolidin-1-yl)-6-(4-methylpipe
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Mol. Formula:
C15H27N7

M.W.:
305.43

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.05

Polar Surface Area:
64.76

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA505061

Name:
4-(4-Methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimi
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Mol. Formula:
C13H22N6

M.W.:
262.36

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.41

Polar Surface Area:
61.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA492662

Name:
N4,N4-Diethyl-6-(4-methylpiperazin-1-yl)pyrimidine
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Mol. Formula:
C13H24N6

M.W.:
264.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.66

Polar Surface Area:
61.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA485802

Name:
N4,N4-Dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin
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Mol. Formula:
C11H20N6

M.W.:
236.32

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.12

Polar Surface Area:
61.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS