Compounds

ALA5266005

Name:
(R)-3-(((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo[1,5-a]pyrimidShow More⌵

Mol. Formula:
C21H28N6O2

M.W.:
396.50

Type:
---

AlogP:
2.28

Polar Surface Area:
92.63

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5184492

Name:

Mol. Formula:
C22H21N5O3

M.W.:
403.44

6 activity values

6 unique targets

Type:
---

AlogP:
2.09

Polar Surface Area:
96.01

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5181709

Name:
2-(4-(4-(1-Isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)-1H-pyrrolo[2,3-b]pyShow More⌵

Mol. Formula:
C27H34N6O

M.W.:
458.61

10 activity values

6 unique targets

Type:
---

AlogP:
4.74

Polar Surface Area:
70.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5171657

Name:
Dinaciclib

Mol. Formula:
C22H29N5O2

M.W.:
395.51

4 activity values

4 unique targets

Type:
---

AlogP:
3.19

Polar Surface Area:
89.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4878874

Name:
4-(2-(6-(morpholine-4-carbonyl)naphthalen-2-yl)ethylamino)quinazoline-6-carShow More⌵

Mol. Formula:
C26H23N5O2

M.W.:
437.50

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
91.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4875632

Name:
4-(4-(4-methylpiperazine-1-carbonyl)phenethylamino)quinazoline-6-carbonitriShow More⌵

Mol. Formula:
C23H24N6O

M.W.:
400.49

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.54

Polar Surface Area:
85.15

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4874663

Name:
4-(4-(morpholine-4-carbonyl)phenethylamino)quinazoline-6-carbonitrile

Mol. Formula:
C22H21N5O2

M.W.:
387.44

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
91.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4874631

Name:
4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N,N-dimethylbenzamide

Mol. Formula:
C20H19N5O

M.W.:
345.41

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
81.91

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4869939

Name:
4-(4-(piperidine-1-carbonyl)phenethylamino)quinazoline-6-carbonitrile

Mol. Formula:
C23H23N5O

M.W.:
385.47

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
81.91

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4869016

Name:
4-(2-(7-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl)ethylamino)quinazoliShow More⌵

Mol. Formula:
C27H26N6O

M.W.:
450.55

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
85.15

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4867633

Name:
4-(2-(7-(morpholine-4-carbonyl)naphthalen-2-yl)ethylamino)quinazoline-6-carShow More⌵

Mol. Formula:
C26H23N5O2

M.W.:
437.50

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
91.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4867033

Name:
4-(4-chloro-3-(morpholine-4-carbonyl)benzylamino)quinazoline-6-carbonitrile

Mol. Formula:
C21H18ClN5O2

M.W.:
407.86

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
91.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4866990

Name:
4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N-(2-methoxyethyl)benzamide

Mol. Formula:
C21H21N5O2

M.W.:
375.43

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.53

Polar Surface Area:
99.93

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4859226

Name:
4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N-(2-(dimethylamino)ethyl)benzamidShow More⌵

Mol. Formula:
C22H24N6O

M.W.:
388.48

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.45

Polar Surface Area:
93.94

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4858679

Name:
4-(4-(3-aminopyrrolidine-1-carbonyl)phenethylamino)quinazoline-6-carbonitriShow More⌵

Mol. Formula:
C22H22N6O

M.W.:
386.46

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
107.93

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4851465

Name:
4-(4-chloro-3-(4-methylpiperazine-1-carbonyl)benzylamino)quinazoline-6-carbShow More⌵

Mol. Formula:
C22H21ClN6O

M.W.:
420.90

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
85.15

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4849615

Name:
4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N-methylbenzamide

Mol. Formula:
C19H17N5O

M.W.:
331.38

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
90.70

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4741442

Name:
(R)-4-(5-bromo-4-(1-hydroxypropan-2-ylamino)pyrimidin-2-ylamino)benzenesulfShow More⌵

Mol. Formula:
C13H16BrN5O3S

M.W.:
402.27

18 activity values

12 unique targets

Type:
Unknown

AlogP:
1.42

Polar Surface Area:
130.23

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4649135

Name:
2-[(2S)-1-[6-[(6,7-difluoro-1H-benzimidazol-2-yl)methylamino]-9-ethyl-purinShow More⌵

Mol. Formula:
C22H26F2N8O

M.W.:
456.50

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.35

Polar Surface Area:
107.78

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4589103

Name:
7-cyclopentyl-N,N-dimethyl-2-(4-(piperazin-1-yl)phenylamino)-7H-pyrrolo[2,3Show More⌵

Mol. Formula:
C24H31N7O

M.W.:
433.56

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
78.32

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS