Compounds

ALA4798452

Name:
2-(4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methoxyphenylamino)-9-methyl-5H-bShow More⌵

Mol. Formula:
C25H29N7O3

M.W.:
475.55

9 activity values

4 unique targets

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
114.88

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4797362

Name:
2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-7-methyl-5H-benzo[d]pyrShow More⌵

Mol. Formula:
C24H27N7O2

M.W.:
445.53

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
85.86

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4796379

Name:
2-(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ylamino)-9-methyl-5H-Show More⌵

Mol. Formula:
C23H24N6O2

M.W.:
416.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
91.41

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4793238

Name:
2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-5H-benzo[d]pyrimido[4,5Show More⌵

Mol. Formula:
C23H25N7O2

M.W.:
431.50

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
94.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4792672

Name:
2-(4-((3S,5R)-3,5-dimethylpiperazin-1-yl)-2-methoxyphenylamino)-9-methyl-5HShow More⌵

Mol. Formula:
C25H29N7O2

M.W.:
459.55

9 activity values

4 unique targets

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
103.44

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4788961

Name:
2-(3-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-9-methyl-5H-benzo[d]pyrShow More⌵

Mol. Formula:
C24H27N7O2

M.W.:
445.53

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
94.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4787806

Name:
2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-11-methyl-5H-benzo[d]pyShow More⌵

Mol. Formula:
C24H27N7O2

M.W.:
445.53

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
94.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4777299

Name:
2-(2-methoxy-4-(1-methylpiperidin-3-yl)phenylamino)-9-methyl-5H-benzo[d]pyrShow More⌵

Mol. Formula:
C25H28N6O2

M.W.:
444.54

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
91.41

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4776316

Name:
2-(2-methoxy-4-(1-methylpiperidin-4-yl)phenylamino)-9-methyl-5H-benzo[d]pyrShow More⌵

Mol. Formula:
C25H28N6O2

M.W.:
444.54

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.97

Polar Surface Area:
91.41

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4762595

Name:
2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-10-methyl-5H-benzo[d]pyShow More⌵

Mol. Formula:
C24H27N7O2

M.W.:
445.53

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
94.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4761820

Name:
8-fluoro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-5H-benzo[d]pyrShow More⌵

Mol. Formula:
C23H24FN7O2

M.W.:
449.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
94.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4761486

Name:
2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-9-methyl-5H-benzo[d]pyrShow More⌵

Mol. Formula:
C24H27N7O2

M.W.:
445.53

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
94.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4758523

Name:
2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-5-methyl-5H-benzo[d]pyrShow More⌵

Mol. Formula:
C24H27N7O2

M.W.:
445.53

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
85.86

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4749755

Name:
2-(2-methoxy-4-(1-methylpiperidin-2-yl)phenylamino)-9-methyl-5H-benzo[d]pyrShow More⌵

Mol. Formula:
C25H28N6O2

M.W.:
444.54

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
91.41

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4749442

Name:
2-(6-methoxy-2-methylisoindolin-5-ylamino)-9-methyl-5H-benzo[d]pyrimido[4,5Show More⌵

Mol. Formula:
C22H22N6O2

M.W.:
402.46

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
91.41

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4746671

Name:
2-(5-fluoro-2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-9-methyl-5H-beShow More⌵

Mol. Formula:
C24H26FN7O2

M.W.:
463.52

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
94.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4744937

Name:
9-cyclopropyl-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-5H-benzo[Show More⌵

Mol. Formula:
C26H29N7O2

M.W.:
471.57

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
94.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4744309

Name:
2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-8-methyl-5H-benzo[d]pyrShow More⌵

Mol. Formula:
C24H27N7O2

M.W.:
445.53

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
94.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4744202

Name:
10-fluoro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-5H-benzo[d]pyShow More⌵

Mol. Formula:
C23H24FN7O2

M.W.:
449.49

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
94.65

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4743052

Name:
2-(7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-6-ylamino)-9-methyl-5H-Show More⌵

Mol. Formula:
C23H24N6O2

M.W.:
416.49

7 activity values

4 unique targets

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
91.41

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS