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ALA3695214 Name:
US8846917, I-1
Mol. Formula:
C21H20N6O2S
M.W.:
420.50
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
116.65
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5208355 Name:
5-(2-(1H-indol-4-yl)-6-(1-methyl-1H-pyrazol-5-yl)q
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Mol. Formula:
C25H22N6O
M.W.:
422.49
Type:
---
AlogP:
4.16
Polar Surface Area:
71.86
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5206229 Name:
(R)-1-(2-(1H-indol-4-yl)-6-(1-methyl-1H-pyrazol-5-
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Mol. Formula:
C25H25N7
M.W.:
423.52
Type:
---
AlogP:
4.11
Polar Surface Area:
88.65
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5204030 Name:
(R)-3-methyl-4-(6-(1-methyl-1H-pyrazol-5-yl)-2-(1H
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Mol. Formula:
C20H21N7O
M.W.:
375.44
Type:
---
AlogP:
2.65
Polar Surface Area:
84.75
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5203964 Name:
(S)-4-(2-(1H-indol-4-yl)-6-(1-methyl-1H-pyrazol-5-
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Mol. Formula:
C25H24N6O
M.W.:
424.51
Type:
---
AlogP:
4.40
Polar Surface Area:
71.86
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5203170 Name:
(R)-4-(2-(1H-indol-4-yl)-6-(1-methyl-1H-pyrrol-2-y
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Mol. Formula:
C26H25N5O
M.W.:
423.52
Type:
---
AlogP:
5.01
Polar Surface Area:
58.97
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5201457 Name:
(R)-2-(1H-indol-4-yl)-6-(1-methyl-1H-pyrazol-5-yl)
Show More⌵
Mol. Formula:
C25H25N7
M.W.:
423.52
Type:
---
AlogP:
3.98
Polar Surface Area:
74.66
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5200343 Name:
(R)-4-(2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-
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Mol. Formula:
C24H22FN7O
M.W.:
443.49
Type:
---
AlogP:
3.94
Polar Surface Area:
84.75
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5199317 Name:
(R)-4-(2-(1H-indol-4-yl)-6-(pyridin-3-yl)quinazoli
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Mol. Formula:
C26H23N5O
M.W.:
421.50
Type:
---
AlogP:
5.07
Polar Surface Area:
66.93
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5198456 Name:
8-(2-(1H-indol-4-yl)-6-(1-methyl-1H-pyrazol-5-yl)q
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Mol. Formula:
C26H24N6O
M.W.:
436.52
Type:
---
AlogP:
4.55
Polar Surface Area:
71.86
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5198149 Name:
(R)-3-methyl-4-(6-(1-methyl-1H-pyrazol-5-yl)-2-(1H
Show More⌵
Mol. Formula:
C24H23N7O
M.W.:
425.50
Type:
---
AlogP:
3.80
Polar Surface Area:
84.75
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5197038 Name:
(R)-5-(2-(1H-indol-4-yl)-4-(3-methylmorpholino)qui
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Mol. Formula:
C27H22N6O
M.W.:
446.51
Type:
---
AlogP:
4.94
Polar Surface Area:
90.72
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5196853 Name:
(R)-4-(2-(1H-indol-4-yl)-6-(2-methylthiazol-5-yl)q
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Mol. Formula:
C25H23N5OS
M.W.:
441.56
Type:
---
AlogP:
5.44
Polar Surface Area:
66.93
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5194672 Name:
2-(1H-indol-4-yl)-6-(1-methyl-1H-pyrazol-5-yl)-4-(
Show More⌵
Mol. Formula:
C25H25N7O2S
M.W.:
487.59
Type:
---
AlogP:
3.26
Polar Surface Area:
100.01
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5194198 Name:
(2R,6S)-4-(2-(1H-indol-4-yl)-6-(1-methyl-1H-pyrazo
Show More⌵
Mol. Formula:
C26H26N6O
M.W.:
438.54
Type:
---
AlogP:
4.79
Polar Surface Area:
71.86
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5193604 Name:
1-(2-(1H-indol-4-yl)-6-(1-methyl-1H-pyrazol-5-yl)q
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Mol. Formula:
C24H23N7
M.W.:
409.50
Type:
---
AlogP:
3.72
Polar Surface Area:
88.65
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5192689 Name:
3-(2-(1H-indol-4-yl)-6-(1-methyl-1H-pyrazol-5-yl)q
Show More⌵
Mol. Formula:
C26H24N6O
M.W.:
436.52
Type:
---
AlogP:
4.55
Polar Surface Area:
71.86
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5192680 Name:
(R)-4-(2-(1H-indol-4-yl)-6-(1-methyl-1H-imidazole-
Show More⌵
Mol. Formula:
C25H24N6O
M.W.:
424.51
Type:
---
AlogP:
4.40
Polar Surface Area:
71.86
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5192206 Name:
(R)-4-(2-(1H-indol-4-yl)-6-(1-isopropyl-1H-pyrazol
Show More⌵
Mol. Formula:
C27H28N6O
M.W.:
452.56
Type:
---
AlogP:
5.45
Polar Surface Area:
71.86
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5190917 Name:
(R)-3-methyl-4-(6-(1-methyl-1H-pyrazol-5-yl)-2-(1H
Show More⌵
Mol. Formula:
C24H23N7O
M.W.:
425.50
Type:
---
AlogP:
3.80
Polar Surface Area:
84.75
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
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