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ALA4547295 Name:
6-ethyl-N-(2-fluoro-3-(trifluoromethyl)phenyl)-3'-
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Mol. Formula:
C29H22F4N4O
M.W.:
518.51
Type:
Unknown
AlogP:
7.34
Polar Surface Area:
59.29
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4546339 Name:
4-methyl-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-
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Mol. Formula:
C25H22F3N5O
M.W.:
465.48
Type:
Unknown
AlogP:
5.67
Polar Surface Area:
71.84
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4756210 Name:
N-(3-(4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)
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Mol. Formula:
C32H34N8O2
M.W.:
562.68
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
125.29
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4541139 Name:
(R)-N-(3-Ethyl-5-(4-methyl-1H-imidazol-1-yl)phenyl
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Mol. Formula:
C27H28N6O
M.W.:
452.56
Type:
Unknown
AlogP:
4.39
Polar Surface Area:
75.94
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5201538 Name:
(-)-Applanatumine B
Mol. Formula:
C33H32O13
M.W.:
636.61
Type:
---
AlogP:
3.40
Polar Surface Area:
214.19
HBA:
12
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5094596 Name:
2-(2-(3-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro
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Mol. Formula:
C30H22F3N7O4
M.W.:
601.55
Type:
Unknown
AlogP:
5.64
Polar Surface Area:
160.93
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5088050 Name:
2-(4-amino-2-(4-fluorophenyl)-7-oxo-6,7-dihydro-2H
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Mol. Formula:
C28H18F4N6O3
M.W.:
562.48
Type:
Unknown
AlogP:
5.82
Polar Surface Area:
131.83
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5084624 Name:
2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro
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Mol. Formula:
C30H22F3N7O4
M.W.:
601.55
Type:
Unknown
AlogP:
5.64
Polar Surface Area:
160.93
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5083118 Name:
2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro
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Mol. Formula:
C27H27N7O4
M.W.:
513.56
Type:
Unknown
AlogP:
3.90
Polar Surface Area:
160.93
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5082740 Name:
2-(4-amino-7-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[
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Mol. Formula:
C28H19F3N6O3
M.W.:
544.49
Type:
Unknown
AlogP:
5.68
Polar Surface Area:
131.83
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5081927 Name:
2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro
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Mol. Formula:
C29H29N7O4
M.W.:
539.60
Type:
Unknown
AlogP:
4.43
Polar Surface Area:
160.93
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5076889 Name:
2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro
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Mol. Formula:
C30H22F3N7O4
M.W.:
601.55
Type:
Unknown
AlogP:
5.64
Polar Surface Area:
160.93
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5075627 Name:
2-(2-(4-acetamidophenyl)-4-amino-7-oxo-6,7-dihydro
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Mol. Formula:
C29H23N7O4
M.W.:
533.55
Type:
Unknown
AlogP:
4.62
Polar Surface Area:
160.93
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5072982 Name:
4-((4-ethylpiperazin-1-yl)methyl)-N-(4-methyl-3-(2
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Mol. Formula:
C30H31F3N4O3
M.W.:
552.60
Type:
Unknown
AlogP:
5.69
Polar Surface Area:
73.91
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5072528 Name:
2-(4-amino-7-oxo-2-p-tolyl-6,7-dihydro-2H-pyrazolo
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Mol. Formula:
C29H21F3N6O3
M.W.:
558.52
Type:
Unknown
AlogP:
5.99
Polar Surface Area:
131.83
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4754201 Name:
N-(3-(4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)
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Mol. Formula:
C31H31ClN8O2
M.W.:
583.10
Type:
Unknown
AlogP:
5.36
Polar Surface Area:
125.29
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4753570 Name:
N-(3-(4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)
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Mol. Formula:
C30H29N7O2
M.W.:
519.61
Type:
Unknown
AlogP:
5.55
Polar Surface Area:
122.05
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4794765 Name:
4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(
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Cas Number:
1257628-64-0
Mol. Formula:
C29H27F3N6O
M.W.:
532.57
Type:
Unknown
AlogP:
4.46
Polar Surface Area:
65.77
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4794626 Name:
N-(3-(4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)
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Mol. Formula:
C30H28BrN7O3
M.W.:
614.50
Type:
Unknown
AlogP:
5.55
Polar Surface Area:
131.28
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4794437 Name:
N-(3-(4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)
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Mol. Formula:
C31H29F3N8O2
M.W.:
602.62
Type:
Unknown
AlogP:
5.41
Polar Surface Area:
125.29
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
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