Compounds

ALA4760979

Name:
NA

Mol. Formula:
C23H27NO5

M.W.:
397.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.08

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4097265

Name:
2-Amino-4-(3-hydroxypropylamino)-7H-pyrrolo[2,3-d]
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Mol. Formula:
C14H19N7O

M.W.:
301.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.08

Polar Surface Area:
118.09

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4097157

Name:
2-Amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-car
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Cas Number:
124738-81-4

Mol. Formula:
C7H4ClN5

M.W.:
193.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.07

Polar Surface Area:
91.38

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4096327

Name:
2-Amino-4-((1RS,2SR,3RS)-2,3-dihydroxycyclopentyla
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Mol. Formula:
C12H14N6O2

M.W.:
274.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.29

Polar Surface Area:
143.87

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4096206

Name:
4-(2-Amino-7H-pyrrol[2,3-d]pyrimidin-4-yl)benzenes
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Mol. Formula:
C12H11N5O2S

M.W.:
289.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.85

Polar Surface Area:
127.75

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4095624

Name:
2-Amino-4-(3-(hydroxymethyl)phenyl)-7H-pyrrolo[2,3
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Mol. Formula:
C14H11N5O

M.W.:
265.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
111.61

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4095268

Name:
2-Amino-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimi
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Mol. Formula:
C12H14N6

M.W.:
242.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.40

Polar Surface Area:
94.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4094812

Name:
2-Amino-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-
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Mol. Formula:
C12H15N7

M.W.:
257.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.16

Polar Surface Area:
97.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4104076

Name:
2-Amino-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-car
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Mol. Formula:
C13H9N5

M.W.:
235.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
91.38

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4103966

Name:
2-(2-Amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl
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Mol. Formula:
C13H10N6O2S

M.W.:
314.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
151.54

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4103371

Name:
2-Amino-4-(3-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimi
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Mol. Formula:
C13H8FN5

M.W.:
253.24

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
91.38

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4102550

Name:
2-Amino-4-(4-(2-hydroxyethyl)piperazin-1-yl)-7H-py
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Mol. Formula:
C13H17N7O

M.W.:
287.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.47

Polar Surface Area:
118.09

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4102441

Name:
2-Amino-4-((cyclopropylmethyl)amino)-7H-pyrrolo[2,
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Mol. Formula:
C11H12N6

M.W.:
228.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
103.41

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4102084

Name:
2-Amino-4-(cyclohexylmethylamino)-7H-pyrrolo[2,3-d
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Mol. Formula:
C14H18N6

M.W.:
270.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
94.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4100931

Name:
4-(2-Amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl
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Mol. Formula:
C20H16N6O2S

M.W.:
404.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
137.55

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4100574

Name:
N4-Cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diam
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Mol. Formula:
C12H17N5

M.W.:
231.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
79.62

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4099596

Name:
4-((2-Amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-y
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Mol. Formula:
C13H11N7O2S

M.W.:
329.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.80

Polar Surface Area:
163.57

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4094337

Name:
4-((2-Amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-y
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Mol. Formula:
C14H11N7O

M.W.:
293.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.25

Polar Surface Area:
146.50

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4093207

Name:
2-Amino-4-(3-hydroyphenyl)-7H-pyrrolo[2,3-d]pyrimi
Show More⌵

Mol. Formula:
C13H9N5O

M.W.:
251.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
111.61

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4092101

Name:
2-Amino-4-((1R,4R)-4-hydroxycyclohexylamino)-7H-py
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Mol. Formula:
C13H18N6O2

M.W.:
290.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.35

Polar Surface Area:
142.94

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS