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ALA2042529 Name:
3-[2-(3-carboxyphenyl)ethyl]imidazo[2,1-f][1,2,4]t
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Mol. Formula:
C14H12N4O2
M.W.:
268.28
Type:
Small molecule
AlogP:
1.61
Polar Surface Area:
80.38
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA157949 Name:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]
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Mol. Formula:
C19H22N4O3
M.W.:
354.41
Type:
Small molecule
AlogP:
2.19
Polar Surface Area:
99.74
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA157723 Name:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]
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Mol. Formula:
C26H28N4O3
M.W.:
444.54
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
88.74
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA157669 Name:
1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5
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Mol. Formula:
C21H25BrN4O3
M.W.:
461.36
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
88.74
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA346040 Name:
1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5
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Cas Number:
214679-60-4
Mol. Formula:
C19H21BrN4O3
M.W.:
433.31
Type:
Small molecule
AlogP:
2.95
Polar Surface Area:
99.74
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA157426 Name:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]
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Mol. Formula:
C20H17F3N4O3
M.W.:
418.38
Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
99.74
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA158023 Name:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]
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Mol. Formula:
C22H28N4O4
M.W.:
412.49
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
108.97
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA160384 Name:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]
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Mol. Formula:
C22H28N4O4
M.W.:
412.49
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
97.97
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA347030 Name:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]
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Mol. Formula:
C24H32N4O4
M.W.:
440.54
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
97.97
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA157800 Name:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]
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Mol. Formula:
C22H28N4O4
M.W.:
412.49
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
97.97
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA350676 Name:
1,3-Dichloro-4-[2-(8-hydroxy-7,8-dihydro-6H-imidaz
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Mol. Formula:
C26H26Cl2N4O3
M.W.:
513.43
Type:
Small molecule
AlogP:
5.16
Polar Surface Area:
88.74
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA156217 Name:
6-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5
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Mol. Formula:
C19H17BrN4O3
M.W.:
429.27
Type:
Small molecule
AlogP:
3.23
Polar Surface Area:
99.74
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA348608 Name:
6-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5
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Mol. Formula:
C21H21BrN4O3
M.W.:
457.33
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
88.74
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA156990 Name:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]
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Mol. Formula:
C21H26N4O3
M.W.:
382.46
Type:
Small molecule
AlogP:
2.67
Polar Surface Area:
88.74
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA157468 Name:
1-Benzyloxy-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo
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Mol. Formula:
C26H28N4O4
M.W.:
460.53
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
108.97
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA280097 Name:
1,3-Dichloro-4-[2-(8-hydroxy-7,8-dihydro-6H-imidaz
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Mol. Formula:
C19H20Cl2N4O3
M.W.:
423.30
Type:
Small molecule
AlogP:
3.50
Polar Surface Area:
99.74
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA157743 Name:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]
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Mol. Formula:
C20H24N4O4
M.W.:
384.44
Type:
Small molecule
AlogP:
2.20
Polar Surface Area:
108.97
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA157951 Name:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]
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Mol. Formula:
C20H20N4O3
M.W.:
364.41
Type:
Small molecule
AlogP:
2.55
Polar Surface Area:
88.74
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA156756 Name:
4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]
Show More⌵
Mol. Formula:
C22H21F3N4O3
M.W.:
446.43
Type:
Small molecule
AlogP:
3.96
Polar Surface Area:
88.74
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA158136 Name:
1-Benzyloxy-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo
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Mol. Formula:
C28H32N4O4
M.W.:
488.59
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
97.97
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
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