Compounds

Select all

PF-06282999
Name:
2-(6-(5-Chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yShow More⌵
Mol. Formula:
C13H12ClN3O3S
M.W.:
325.78
63 activity values
24 unique targets
Type:
Small molecule
AlogP:
1.72
Polar Surface Area:
90.11
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
PF 06281355
Name:
2-(6-(2,5-Dimethoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)aceShow More⌵
Mol. Formula:
C14H15N3O4S
M.W.:
321.36
25 activity values
12 unique targets
Type:
Small molecule
AlogP:
1.08
Polar Surface Area:
99.34
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA3633458
Name:
6-(2-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Mol. Formula:
C11H10N2O2S
M.W.:
234.28
4 activity values
3 unique targets
Type:
Small molecule
AlogP:
2.11
Polar Surface Area:
57.88
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.78
DETAILS
CLOSE
ALA3633457
Name:
6-(2,4-Dimethoxyphenyl)-1-(2-isopropoxyethyl)-2-thioxo-2,3-dihydropyrimidinShow More⌵
Mol. Formula:
C17H22N2O4S
M.W.:
350.44
12 activity values
7 unique targets
Type:
Small molecule
AlogP:
3.02
Polar Surface Area:
65.48
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3633251
Name:
6-(2,4-Dimethoxyphenyl)-1-(2-hydroxyethyl)-2-thioxo-2,3-dihydropyrimidin-4(Show More⌵
Mol. Formula:
C14H16N2O4S
M.W.:
308.36
31 activity values
9 unique targets
Type:
Small molecule
AlogP:
1.58
Polar Surface Area:
76.48
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA3633250
Name:
1-(2-Aminoethyl)-6-(2,4-dimethoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1HShow More⌵
Mol. Formula:
C14H17N3O3S
M.W.:
307.38
22 activity values
9 unique targets
Type:
Small molecule
AlogP:
1.55
Polar Surface Area:
82.27
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA3633249
Name:
N-(2-Aminoethyl)-2-(6-(2,4-dimethoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimShow More⌵
Mol. Formula:
C16H20N4O4S
M.W.:
364.43
19 activity values
9 unique targets
Type:
Small molecule
AlogP:
0.66
Polar Surface Area:
111.37
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA3633248
Name:
2-(6-(2,4-Dimethoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)aceShow More⌵
Mol. Formula:
C14H15N3O4S
M.W.:
321.36
21 activity values
9 unique targets
Type:
Small molecule
AlogP:
1.08
Polar Surface Area:
99.34
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE