Compounds

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ALA4294145
Name:
3-[4-(1H-Imidazol-1-yl)butoxy]-4-methoxy-N-[4-meth
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Mol. Formula:
C31H31N7O3
M.W.:
549.64

13 activity values

6 unique targets
Type:
Small molecule
AlogP:
5.91
Polar Surface Area:
116.08
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4289670
Name:
3-Bromo-4-[4-(1H-imidazol-1-yl)butoxy]-N-[4-methyl
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Mol. Formula:
C30H28BrN7O2
M.W.:
598.51

9 activity values

5 unique targets
Type:
Small molecule
AlogP:
6.66
Polar Surface Area:
106.85
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4286253
Name:
3-[4-(1H-Imidazol-1-yl)butoxy]-4-nitro-N-[4-methyl
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Mol. Formula:
C30H28N8O4
M.W.:
564.61

9 activity values

5 unique targets
Type:
Small molecule
AlogP:
5.81
Polar Surface Area:
149.99
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4282448
Name:
4-[4-(1H-Imidazol-1-yl)butoxy]-3-methoxy-N-[4-meth
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Mol. Formula:
C31H31N7O3
M.W.:
549.64

9 activity values

5 unique targets
Type:
Small molecule
AlogP:
5.91
Polar Surface Area:
116.08
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4279418
Name:
5-Bromo-3-[4-(1H-imidazol-1-yl)butoxy]-N-[4-methyl
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Mol. Formula:
C30H28BrN7O2
M.W.:
598.51

13 activity values

6 unique targets
Type:
Small molecule
AlogP:
6.66
Polar Surface Area:
106.85
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE