Compounds

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ALA4796225
Name:
1-(2-Chloro-7-((3S,5S)-3,5-dimethylmorpholino)pyra
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Mol. Formula:
C19H19ClF3N7O2
M.W.:
469.86

67 activity values

10 unique targets
Type:
Unknown
AlogP:
4.05
Polar Surface Area:
96.68
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA3806299
Name:
1-(4-(4-(aminomethyl)-1H-pyrazol-1-yl)-3-chlorophe
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Mol. Formula:
C20H20Cl2N8O
M.W.:
459.34

3 activity values

2 unique targets
Type:
Small molecule
AlogP:
4.45
Polar Surface Area:
115.16
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3805390
Name:
1-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)
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Mol. Formula:
C20H19Cl2N9O2
M.W.:
488.34

3 activity values

2 unique targets
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
124.15
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3806235
Name:
1-(6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)py
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Mol. Formula:
C19H15ClF3N9O2
M.W.:
493.84

3 activity values

2 unique targets
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
124.15
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3805576
Name:
1-(2-Chloro-7-isopropyl-pyrazolo[1,5-a]pyrimidin-6
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Mol. Formula:
C19H19ClF3N7O3S
M.W.:
517.92

3 activity values

2 unique targets
Type:
Small molecule
AlogP:
4.10
Polar Surface Area:
121.59
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE