Compounds

ALA4799512

Name:
2-(3,5-Dibromo-4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thienopyShow More⌵

Mol. Formula:
C18H16Br2N2O2S

M.W.:
484.21

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.45

Polar Surface Area:
54.98

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4799426

Name:
2-(3-Bromo-4,5-dimethoxyphenyl)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidShow More⌵

Mol. Formula:
C18H17BrN2O3S

M.W.:
421.32

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
64.21

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4798194

Name:
2-(3-Chloro-4,5-dimethoxyphenyl)-5,6,7,8-tetrahydropyridylthieno[2,3-d]pyriShow More⌵

Mol. Formula:
C19H17ClF3N3O5S

M.W.:
491.88

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
76.24

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4791325

Name:
2-(3-Chloro-4,5-dimethoxyphenyl)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimiShow More⌵

Mol. Formula:
C18H17ClN2O3S

M.W.:
376.87

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
64.21

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4785975

Name:
2-(3-Hydroxy-4-methoxyphenyl)-7-ethoxycarbonyl)-5,6,7,8-tetrahydropyridylthShow More⌵

Mol. Formula:
C19H19N3O5S

M.W.:
401.44

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
104.75

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4785753

Name:
2-(3-Bromo-4,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thienopyShow More⌵

Mol. Formula:
C19H19BrN2O3S

M.W.:
435.34

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
64.21

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4783885

Name:
2-(3,5-DifIuorophenyl))-7-ethoxycarbonyl-5,6,7,8-tetrahydropyridylthieno[2,Show More⌵

Mol. Formula:
C18H15F2N3O3S

M.W.:
391.40

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
75.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4782881

Name:
2-(4-Methoxyphenyl)-5,6,7,8-tetrahydropyridylthieno[2,3-d]pyrimidin-4(3H)-oShow More⌵

Mol. Formula:
C18H16F3N3O4S

M.W.:
427.40

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
67.01

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4777410

Name:
2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetrahydropyridylthieno[2,3-d]pyrimidin-Show More⌵

Mol. Formula:
C20H20F3N3O6S

M.W.:
487.46

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
85.47

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4763475

Name:
2-(3-Bromo-4,5-dimethoxyphenyl)-5,6,7,8-tetrahydropyridylthieno[2,3-d]pyrimShow More⌵

Mol. Formula:
C19H17BrF3N3O5S

M.W.:
536.33

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
76.24

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4761219

Name:
2-(3-Cyanophenyl))-7-ethoxycarbonyl)-5,6,7,8-tetrahydropyridylthieno[2,3-d]Show More⌵

Mol. Formula:
C19H16N4O3S

M.W.:
380.43

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
99.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4760092

Name:
2-(3,5-Dibromo-4-methoxyphenyl)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidShow More⌵

Mol. Formula:
C17H14Br2N2O2S

M.W.:
470.19

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.06

Polar Surface Area:
54.98

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4759455

Name:
2-(3-Bromo-4,5-dimethoxyphenyl)-7-ethoxycarbonyl)-5,6,7,8-tetrahydropyridylShow More⌵

Mol. Formula:
C20H20BrN3O5S

M.W.:
494.37

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
93.75

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4758661

Name:
2-(3,5-Dibromo-4-methoxyphenyl)-5,6,7,8-tetrahydropyridylthieno[2,3-d]pyrimShow More⌵

Mol. Formula:
C18H14Br2F3N3O4S

M.W.:
585.20

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
67.01

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4757154

Name:
2-(3-Bromo-4,5-dimethoxyphenyl)-7-acryloyl)-5,6,7,8-tetrahydropyridylthienoShow More⌵

Mol. Formula:
C20H18BrN3O4S

M.W.:
476.35

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
84.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4753910

Name:
2-(3,5-Difluorophenyl)-5,6,7,8-tetrahydro-4H-1-cyclohepta[b]thienopyrimidinShow More⌵

Mol. Formula:
C17H14F2N2OS

M.W.:
332.38

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
45.75

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4749978

Name:
2-(3-Bromophenyl)-5,6,7,8-tetrahydropyridylthieno[2,3-d]pyrimidin-4(3H)-oneShow More⌵

Mol. Formula:
C17H13BrF3N3O3S

M.W.:
476.27

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
57.78

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4749764

Name:
7-Acetyl-2-(3-bromo-4,5-dimethoxy-phenyl)-5,6,7,8-tetrahydro-3H-pyrido[4',3Show More⌵

Mol. Formula:
C19H18BrN3O4S

M.W.:
464.34

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
84.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4748746

Name:
4-Oxo-2-(3,4,5-trimethoxy-phenyl)-3,5,6,8-tetrahydro-4H-pyrido[4',3':4,5]thShow More⌵

Mol. Formula:
C21H23N3O6S

M.W.:
445.50

5 activity values

4 unique targets

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
102.98

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4746904

Name:
2-(3,5-Difluorophenyl))-5,6,7,8-tetrahydropyridylthieno[2,3-d]pyrimidin-4(3Show More⌵

Mol. Formula:
C17H12F5N3O3S

M.W.:
433.36

5 activity values

4 unique targets

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
57.78

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS