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ALA4741442 Name:
(R)-4-(5-bromo-4-(1-hydroxypropan-2-ylamino)pyrimi
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Cas Number:
477589-41-6
Mol. Formula:
C13H16BrN5O3S
M.W.:
402.27
Type:
Unknown
AlogP:
1.42
Polar Surface Area:
130.23
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4578788 Name:
methyl 4-prop-2-enoyl-2,3-dihydroquinoxaline-1-car
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Mol. Formula:
C13H14N2O3
M.W.:
246.27
Type:
Unknown
AlogP:
1.79
Polar Surface Area:
49.85
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.71
DETAILS
CLOSE
ALA4589103 Name:
7-cyclopentyl-N,N-dimethyl-2-(4-(piperazin-1-yl)ph
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Mol. Formula:
C24H31N7O
M.W.:
433.56
Type:
Unknown
AlogP:
3.40
Polar Surface Area:
78.32
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4584344 Name:
4-(5-(imidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-yla
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Mol. Formula:
C19H19N7O3S
M.W.:
425.47
Type:
Unknown
AlogP:
1.85
Polar Surface Area:
123.40
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4859226 Name:
4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N-(2-(dim
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Mol. Formula:
C22H24N6O
M.W.:
388.48
Type:
Unknown
AlogP:
2.45
Polar Surface Area:
93.94
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4858679 Name:
4-(4-(3-aminopyrrolidine-1-carbonyl)phenethylamino
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Mol. Formula:
C22H22N6O
M.W.:
386.46
Type:
Unknown
AlogP:
2.33
Polar Surface Area:
107.93
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4878874 Name:
4-(2-(6-(morpholine-4-carbonyl)naphthalen-2-yl)eth
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Mol. Formula:
C26H23N5O2
M.W.:
437.50
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
91.14
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4875632 Name:
4-(4-(4-methylpiperazine-1-carbonyl)phenethylamino
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Mol. Formula:
C23H24N6O
M.W.:
400.49
Type:
Unknown
AlogP:
2.54
Polar Surface Area:
85.15
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4874663 Name:
4-(4-(morpholine-4-carbonyl)phenethylamino)quinazo
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Mol. Formula:
C22H21N5O2
M.W.:
387.44
Type:
Unknown
AlogP:
2.63
Polar Surface Area:
91.14
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4874631 Name:
4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N,N-dimet
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Mol. Formula:
C20H19N5O
M.W.:
345.41
Type:
Unknown
AlogP:
2.86
Polar Surface Area:
81.91
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4849615 Name:
4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N-methylb
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Mol. Formula:
C19H17N5O
M.W.:
331.38
Type:
Unknown
AlogP:
2.52
Polar Surface Area:
90.70
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4869939 Name:
4-(4-(piperidine-1-carbonyl)phenethylamino)quinazo
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Mol. Formula:
C23H23N5O
M.W.:
385.47
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
81.91
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4869016 Name:
4-(2-(7-(4-methylpiperazine-1-carbonyl)naphthalen-
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Mol. Formula:
C27H26N6O
M.W.:
450.55
Type:
Unknown
AlogP:
3.70
Polar Surface Area:
85.15
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4544461 Name:
tert-butyl 4-prop-2-enoyl-2,3-dihydroquinoxaline-1
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Mol. Formula:
C16H20N2O3
M.W.:
288.35
Type:
Unknown
AlogP:
2.96
Polar Surface Area:
49.85
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.75
DETAILS
CLOSE
ALA4649135 Name:
2-[(2S)-1-[6-[(6,7-difluoro-1H-benzimidazol-2-yl)m
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Mol. Formula:
C22H26F2N8O
M.W.:
456.50
Type:
Unknown
AlogP:
3.35
Polar Surface Area:
107.78
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4851465 Name:
4-(4-chloro-3-(4-methylpiperazine-1-carbonyl)benzy
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Mol. Formula:
C22H21ClN6O
M.W.:
420.90
Type:
Unknown
AlogP:
3.15
Polar Surface Area:
85.15
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4867633 Name:
4-(2-(7-(morpholine-4-carbonyl)naphthalen-2-yl)eth
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Mol. Formula:
C26H23N5O2
M.W.:
437.50
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
91.14
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4867033 Name:
4-(4-chloro-3-(morpholine-4-carbonyl)benzylamino)q
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Mol. Formula:
C21H18ClN5O2
M.W.:
407.86
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
91.14
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4866990 Name:
4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N-(2-meth
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Mol. Formula:
C21H21N5O2
M.W.:
375.43
Type:
Unknown
AlogP:
2.53
Polar Surface Area:
99.93
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5266005 Name:
(R)-3-(((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-
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Mol. Formula:
C21H28N6O2
M.W.:
396.50
Type:
---
AlogP:
2.28
Polar Surface Area:
92.63
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
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