Compounds

ALA5198932

Name:
(R)-benzyl (4-methyl-1-oxo-1-((4-sulfamoylphenethyl)amino)pentan-2-yl)carbaShow More⌵

Mol. Formula:
C22H29N3O5S

M.W.:
447.56

1 activity values

1 unique targets

Type:
---

AlogP:
2.33

Polar Surface Area:
127.59

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4878096

Name:
ethyl 7-methyl-3-(3-(4-sulfamoylstyryl)ureido)pyrazolo[1,5-a]pyrimidine-6-cShow More⌵

Mol. Formula:
C19H20N6O5S

M.W.:
444.47

5 activity values

5 unique targets

Type:
Unknown

AlogP:
1.65

Polar Surface Area:
157.78

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4877281

Name:
ethyl 7-methyl-3-(4-sulfamoylbenzamido)pyrazolo[1,5-a]pyrimidine-6-carboxylShow More⌵

Mol. Formula:
C17H17N5O5S

M.W.:
403.42

5 activity values

5 unique targets

Type:
Unknown

AlogP:
1.11

Polar Surface Area:
145.75

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4875979

Name:
7-methyl-3-(3-(4-sulfamoylphenethyl)ureido)pyrazolo[1,5-a]pyrimidine-6-carbShow More⌵

Mol. Formula:
C17H18N6O5S

M.W.:
418.44

5 activity values

5 unique targets

Type:
Unknown

AlogP:
0.75

Polar Surface Area:
168.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4872438

Name:
7-methyl-3-(3-(3-sulfamoylphenyl)ureido)pyrazolo[1,5-a]pyrimidine-6-carboxyShow More⌵

Mol. Formula:
C15H14N6O5S

M.W.:
390.38

5 activity values

5 unique targets

Type:
Unknown

AlogP:
1.03

Polar Surface Area:
168.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4867657

Name:
ethyl 7-methyl-3-(3-(4-sulfamoylphenethyl)ureido)pyrazolo[1,5-a]pyrimidine-Show More⌵

Mol. Formula:
C19H22N6O5S

M.W.:
446.49

5 activity values

5 unique targets

Type:
Unknown

AlogP:
1.23

Polar Surface Area:
157.78

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4862674

Name:
7-methyl-3-(4-sulfamoylbenzamido)pyrazolo[1,5-a]pyrimidine-6-carboxylic aciShow More⌵

Mol. Formula:
C15H13N5O5S

M.W.:
375.37

5 activity values

5 unique targets

Type:
Unknown

AlogP:
0.64

Polar Surface Area:
156.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4861435

Name:
ethyl 7-methyl-3-(3-(4-sulfamoylphenyl)thioureido)pyrazolo[1,5-a]pyrimidineShow More⌵

Mol. Formula:
C17H18N6O4S2

M.W.:
434.50

5 activity values

5 unique targets

Type:
Unknown

AlogP:
1.67

Polar Surface Area:
140.71

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4857645

Name:
ethyl 7-methyl-3-(3-(4-sulfamoylphenethyl)thioureido)pyrazolo[1,5-a]pyrimidShow More⌵

Mol. Formula:
C19H22N6O4S2

M.W.:
462.56

5 activity values

5 unique targets

Type:
Unknown

AlogP:
1.39

Polar Surface Area:
140.71

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4856843

Name:
ethyl 7-methyl-3-(3-(4-sulfamoylbenzyl)ureido)pyrazolo[1,5-a]pyrimidine-6-cShow More⌵

Mol. Formula:
C18H20N6O5S

M.W.:
432.46

6 activity values

5 unique targets

Type:
Unknown

AlogP:
1.18

Polar Surface Area:
157.78

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4855993

Name:
7-methyl-3-(3-(4-sulfamoylbenzyl)ureido)pyrazolo[1,5-a]pyrimidine-6-carboxyShow More⌵

Mol. Formula:
C16H16N6O5S

M.W.:
404.41

5 activity values

5 unique targets

Type:
Unknown

AlogP:
0.71

Polar Surface Area:
168.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4852783

Name:
7-methyl-3-(3-(4-sulfamoylphenyl)ureido)pyrazolo[1,5-a]pyrimidine-6-carboxyShow More⌵

Mol. Formula:
C15H14N6O5S

M.W.:
390.38

5 activity values

5 unique targets

Type:
Unknown

AlogP:
1.03

Polar Surface Area:
168.78

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4851544

Name:
ethyl 7-methyl-3-(3-(3-sulfamoylphenyl)thioureido)pyrazolo[1,5-a]pyrimidineShow More⌵

Mol. Formula:
C17H18N6O4S2

M.W.:
434.50

5 activity values

5 unique targets

Type:
Unknown

AlogP:
1.67

Polar Surface Area:
140.71

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4849958

Name:
ethyl 3-(4-chloro-3-sulfamoylbenzamido)-7-methylpyrazolo[1,5-a]pyrimidine-6Show More⌵

Mol. Formula:
C17H16ClN5O5S

M.W.:
437.87

6 activity values

5 unique targets

Type:
Unknown

AlogP:
1.77

Polar Surface Area:
145.75

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4846275

Name:
ethyl 7-methyl-3-(3-(4-sulfamoylbenzyl)thioureido)pyrazolo[1,5-a]pyrimidineShow More⌵

Mol. Formula:
C18H20N6O4S2

M.W.:
448.53

5 activity values

5 unique targets

Type:
Unknown

AlogP:
1.35

Polar Surface Area:
140.71

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS