Compounds

ALA248676

Name:
3-(4-(5-methyl-1H-indazol-4-ylamino)pyrimidin-2-yl
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Mol. Formula:
C18H17N7O2S

M.W.:
395.45

11 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
138.68

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA398894

Name:
3-(4-(1H-indazol-4-ylamino)pyrimidin-2-ylamino)ben
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Mol. Formula:
C17H15N7O2S

M.W.:
381.42

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
138.68

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA251096

Name:
3-(4-(1,5-dimethyl-1H-indazol-4-ylamino)pyrimidin-
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Mol. Formula:
C20H19N7O

M.W.:
373.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
110.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA250902

Name:
3-(4-(1-methyl-1H-indazol-4-ylamino)pyrimidin-2-yl
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Mol. Formula:
C19H17N7O

M.W.:
359.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
110.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA251759

Name:
3-(4-(7-methyl-1H-indazol-4-ylamino)pyrimidin-2-yl
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Mol. Formula:
C19H17N7O

M.W.:
359.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
121.61

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA251758

Name:
3-(4-(6-methyl-1H-indazol-4-ylamino)pyrimidin-2-yl
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Mol. Formula:
C19H17N7O

M.W.:
359.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
121.61

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA398422

Name:
3-(4-(5-methyl-1H-indazol-4-ylamino)pyrimidin-2-yl
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Cas Number:
944795-40-8

Mol. Formula:
C19H17N7O

M.W.:
359.39

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
121.61

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA251549

Name:
3-(4-(1H-indazol-4-ylamino)pyrimidin-2-ylamino)ben
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Mol. Formula:
C18H15N7O

M.W.:
345.37

467 activity values

206 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
121.61

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA251548

Name:
3-(4-(2-methyl-1H-benzo[d]imidazol-4-ylamino)pyrim
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Mol. Formula:
C19H17N7O

M.W.:
359.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
121.61

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA398421

Name:
3-(4-(1H-indazol-7-ylamino)pyrimidin-2-ylamino)ben
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Mol. Formula:
C18H15N7O

M.W.:
345.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
121.61

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA443240

Name:
3-(4-(3H-benzo[d][1,2,3]triazol-4-ylamino)pyrimidi
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Mol. Formula:
C17H14N8O

M.W.:
346.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
134.50

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA250543

Name:
3-(4-(quinolin-5-ylamino)pyrimidin-2-ylamino)benza
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Mol. Formula:
C20H16N6O

M.W.:
356.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
105.82

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA400320

Name:
3-(4-(1-methyl-1H-indazol-6-ylamino)pyrimidin-2-yl
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Mol. Formula:
C19H17N7O

M.W.:
359.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
110.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA250542

Name:
3-(4-(3H-benzo[d][1,2,3]triazol-5-ylamino)pyrimidi
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Mol. Formula:
C17H14N8O

M.W.:
346.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
134.50

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA250340

Name:
3-(4-(1-methyl-1H-benzo[d]imidazol-5-ylamino)pyrim
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Mol. Formula:
C19H17N7O

M.W.:
359.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
110.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA398886

Name:
3-(4-(1H-indazol-5-ylamino)pyrimidin-2-ylamino)ben
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Mol. Formula:
C18H15N7O

M.W.:
345.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
121.61

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA249514

Name:
3-(4-(3-methyl-3H-benzo[d]imidazol-5-ylamino)pyrim
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Mol. Formula:
C19H17N7O

M.W.:
359.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
110.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA399382

Name:
3-(4-(benzo[d]thiazol-6-ylamino)pyrimidin-2-ylamin
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Mol. Formula:
C18H14N6OS

M.W.:
362.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
105.82

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA249318

Name:
3-(4-(2,4-difluorophenylamino)pyrimidin-2-ylamino)
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Mol. Formula:
C16H13F2N5O2S

M.W.:
377.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
110.00

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA399381

Name:
3-(4-(5-methoxy-2-methylphenylamino)pyrimidin-2-yl
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Mol. Formula:
C18H19N5O3S

M.W.:
385.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
119.23

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS