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ALA3986712 Name:
(R)-11-(1-Amino-4-fluoro-isoquinolin-6-ylamino)-16
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Mol. Formula:
C31H30FN5O5S
M.W.:
603.68
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
154.72
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3984725 Name:
1-[(2R,15R)-2-(1-Amino-4-fluoro-isoquinolin-6-ylam
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Mol. Formula:
C36H38FN5O5
M.W.:
639.73
Type:
Small molecule
AlogP:
6.64
Polar Surface Area:
146.88
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3982319 Name:
Methyl 3-((R)-1-((R)-2-(4-cyclopropyl-1-oxo-1,2-di
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Mol. Formula:
C37H42N4O8S
M.W.:
702.83
Type:
Small molecule
AlogP:
6.30
Polar Surface Area:
156.13
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
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ALA3980787 Name:
Diethyl [(2R,15R)-2-[(1-Aminoisoquinolin-6-yl)amin
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Mol. Formula:
C34H40N5O6P
M.W.:
645.70
Type:
Small molecule
AlogP:
6.49
Polar Surface Area:
145.11
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3979870 Name:
(R)-5-(1-Amino-4-fluoro-isoquinolin-6-ylamino)-13-
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Mol. Formula:
C38H37FN6O4S
M.W.:
692.82
Type:
Small molecule
AlogP:
6.29
Polar Surface Area:
137.73
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3978562 Name:
[(2R,15R)-2-[(1-Aminoisoquinolin-6-yl)amino]-4,15,
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Mol. Formula:
C32H36N5O6P
M.W.:
617.64
Type:
Small molecule
AlogP:
5.45
Polar Surface Area:
156.11
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA3978462 Name:
(5S,11R)-11-(1-Amino-4-fluoro-isoquinolin-6-ylamin
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Mol. Formula:
C34H34F3N5O5S
M.W.:
681.74
Type:
Small molecule
AlogP:
5.79
Polar Surface Area:
143.72
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA3978216 Name:
(5R,11R)-5-(1-Amino-4-fluoro-isoquinolin-6-ylamino
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Mol. Formula:
C34H37FN6O5S
M.W.:
660.77
Type:
Small molecule
AlogP:
5.29
Polar Surface Area:
146.96
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA3977497 Name:
Methyl 3-((R)-1-((R)-2-(3,4-dimethoxyphenyl)-2-(4-
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Mol. Formula:
C34H37FN4O8S
M.W.:
680.75
Type:
Small molecule
AlogP:
5.56
Polar Surface Area:
156.13
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3808801 Name:
(2R,15R)-2-[(1-Aminoisoquinolin-6-yl)amino]-4,15,1
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Mol. Formula:
C30H31N5O3
M.W.:
509.61
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
109.58
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3809909 Name:
(2R,15R)-2-[(1-Aminoisoquinolin-6-yl)amino]-15,17-
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Mol. Formula:
C29H29N5O3
M.W.:
495.58
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
118.37
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3809993 Name:
(2S,15R)-2-[(1-Aminoisoquinolin-6-yl)amino]-4,15,1
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Mol. Formula:
C30H31N5O3
M.W.:
509.61
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
109.58
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3809344 Name:
(2S,15R)-2-[(1-Aminoisoquinolin-6-yl)amino]-15,17-
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Mol. Formula:
C29H29N5O3
M.W.:
495.58
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
118.37
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3809352 Name:
(15S)-2-[(1-aminoisoquinolin-6-yl)amino]-15-methyl
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Mol. Formula:
C28H27N5O3
M.W.:
481.56
Type:
Small molecule
AlogP:
4.95
Polar Surface Area:
118.37
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3808399 Name:
(15R)-2-[(1-aminoisoquinolin-6-yl)amino]-15-methyl
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Mol. Formula:
C28H27N5O3
M.W.:
481.56
Type:
Small molecule
AlogP:
4.95
Polar Surface Area:
118.37
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3808853 Name:
2-(1-Amino-isoquinolin-6-ylamino)-15-methyl-13-oxa
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Mol. Formula:
C28H27N5O3
M.W.:
481.56
Type:
Small molecule
AlogP:
4.95
Polar Surface Area:
118.37
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3809472 Name:
2-(1-Amino-isoquinolin-6-ylamino)-13-oxa-4,11-diaz
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Mol. Formula:
C27H25N5O3
M.W.:
467.53
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
118.37
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5193093 Name:
2-[6-(3-amino-5-nitro-phenyl)-3-(isopropylamino)-2
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Mol. Formula:
C24H27N7O4
M.W.:
477.53
Type:
---
AlogP:
2.43
Polar Surface Area:
182.16
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5190859 Name:
3-[1-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo
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Mol. Formula:
C25H26N6O6
M.W.:
506.52
Type:
---
AlogP:
2.54
Polar Surface Area:
193.44
HBA:
8
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4218188 Name:
7-(ethylthio)-2-(2-fluorophenyl)-4H-pyrimido[4,5-d
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Mol. Formula:
C14H10FN3O2S
M.W.:
303.32
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
68.88
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
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