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ALA5205448 Name:
3-benzyl-1-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-6-oxo-Show More⌵
Mol. Formula:
C32H32N6O2
M.W.:
532.65
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.46
Polar Surface Area:
103.05
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5205330 Name:
3-benzyl-1-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-phenylurea
Mol. Formula:
C26H27N5O
M.W.:
425.54
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.09
Polar Surface Area:
81.05
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5202653 Name:
N-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-N-(4-(1-methyl-1H-pyrazol-4-ylShow More⌵
Mol. Formula:
C24H26N6O
M.W.:
414.51
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.13
Polar Surface Area:
86.84
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
CDK12-IN-3 Name:
(S)-2-(1-(6-(((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isoproShow More⌵
Mol. Formula:
C23H28F2N8O
M.W.:
470.53
Type:
---
AlogP:
3.92
Polar Surface Area:
107.78
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5187567 Name:
3-benzyl-1-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-2-oxo-Show More⌵
Mol. Formula:
C32H32N6O2
M.W.:
532.65
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.46
Polar Surface Area:
103.05
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5179701 Name:
3-benzyl-1-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-2-oxo-Show More⌵
Mol. Formula:
C32H32N6O2
M.W.:
532.65
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.46
Polar Surface Area:
103.05
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5178679 Name:
3-benzyl-1-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-1H-pyrShow More⌵
Mol. Formula:
C30H31N7O
M.W.:
505.63
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.49
Polar Surface Area:
98.87
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5174472 Name:
3-benzyl-1-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(pyridin-3-yl)phShow More⌵
Mol. Formula:
C31H30N6O
M.W.:
502.62
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
6.15
Polar Surface Area:
93.94
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4800324 Name:
N-(4'-(1-((5-cyclopropyl-1H-pyrazol-3-yl)amino)-1-oxopropan-2-yl)-2,3,4,5-tShow More⌵
Mol. Formula:
C24H28N4O2
M.W.:
404.51
Type:
Unknown
AlogP:
4.27
Polar Surface Area:
86.88
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4800122 Name:
(S)-2-(4-(1-acryloylpiperidin-4-yl)phenyl)-N-(5-cyclopropyl-1H-pyrazol-3-ylShow More⌵
Mol. Formula:
C23H28N4O2
M.W.:
392.50
Type:
Unknown
AlogP:
3.92
Polar Surface Area:
78.09
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4799777 Name:
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(1'-methacryloyl-1',2',5',6'-tetrahydroShow More⌵
Mol. Formula:
C22H25N5O2
M.W.:
391.48
Type:
Unknown
AlogP:
3.06
Polar Surface Area:
90.98
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4799698 Name:
2-(4-(1-acryloyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-N-(5-cyclopropyl-1HShow More⌵
Mol. Formula:
C25H30N4O2
M.W.:
418.54
Type:
Unknown
AlogP:
4.47
Polar Surface Area:
78.09
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4799386 Name:
2-(1'-cyano-1',2',5',6'-tetrahydro-[2,3'-bipyridin]-5-yl)-N-(5-cyclopropyl-Show More⌵
Mol. Formula:
C19H20N6O
M.W.:
348.41
Type:
Unknown
AlogP:
2.43
Polar Surface Area:
97.70
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4798660 Name:
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(1'-(3-methylbut-2-enoyl)-1',2',5',6'-tShow More⌵
Mol. Formula:
C23H27N5O2
M.W.:
405.50
Type:
Unknown
AlogP:
3.45
Polar Surface Area:
90.98
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4798265 Name:
Rac-(E)-N-((4'-(1-((5-cyclopropyl-1H-pyrazol-3-yl)amino)-1-oxopropan-2-yl)-Show More⌵
Mol. Formula:
C30H35N5O3
M.W.:
513.64
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
99.35
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4797074 Name:
2-(6-(1-acryloyl-2,5-dihydro-1H-pyrrol-3-yl)pyridin-3-yl)-N-(5-cyclopropyl-Show More⌵
Mol. Formula:
C20H21N5O2
M.W.:
363.42
Type:
Unknown
AlogP:
2.27
Polar Surface Area:
90.98
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4795410 Name:
N-((5-(1-((5-cyclopropyl-1H-pyrazol-3-yl)amino)-1-oxopropan-2-yl)pyridin-2-Show More⌵
Mol. Formula:
C18H21N5O2
M.W.:
339.40
Type:
Unknown
AlogP:
2.23
Polar Surface Area:
99.77
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4794718 Name:
2-(1-(but-2-ynoyl)-1,2,5,6-tetrahydro-[2,3-bipyridin]-5-yl)-N-(5-cyclopropyShow More⌵
Mol. Formula:
C23H25N5O2
M.W.:
403.49
Type:
Unknown
AlogP:
3.06
Polar Surface Area:
90.98
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4794547 Name:
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(1'-propioloyl-1',2',5',6'-tetrahydro-[Show More⌵
Mol. Formula:
C21H21N5O2
M.W.:
375.43
Type:
Unknown
AlogP:
2.11
Polar Surface Area:
90.98
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4793480 Name:
2-(1-acryloyl-1,2,5,6-tetrahydro-[2,3-bipyridin]-5-yl)-N-(5-cyclopropyl-1H-Show More⌵
Mol. Formula:
C24H29N5O2
M.W.:
419.53
Type:
Unknown
AlogP:
3.86
Polar Surface Area:
90.98
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
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