Compounds

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ALA3526621
Name:
(R)-1-((4-((4-fluoro-2-(hydroxymethyl)-1H-indol-5-yl)oxy)-5-methylpyrrolo[2Show More⌵
Mol. Formula:
C19H19FN4O4
M.W.:
386.38
37 activity values
19 unique targets
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
104.90
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3354240
Name:
5-Bromo-3-[(5-chloro-2-pyridyl)carbamoyl]-2-[(1-isopropylpiperidine-4-carboShow More⌵
Mol. Formula:
C27H32BrClN4O9
M.W.:
671.93
8 activity values
7 unique targets
Type:
Small molecule
AlogP:
2.08
Polar Surface Area:
190.78
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA3354239
Name:
4'-Bromo-2'-[(5-chloro-2-pyridyl)carbamoyl]-6'-hydroxyl-1-isopropylpiperidiShow More⌵
Mol. Formula:
C21H24BrClN4O3
M.W.:
495.81
7 activity values
6 unique targets
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
94.56
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA2332206
Name:
(S)-1-[18F]fluoro-N,4-dimethyl-N-(prop-2-ynyl)pentan-2-amine
Mol. Formula:
C10H18FN
M.W.:
170.26
28 activity values
4 unique targets
Type:
Small molecule
AlogP:
1.94
Polar Surface Area:
3.24
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA2178135
Name:
(4-(4-(Cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-2-fluoro-5Show More⌵
Mol. Formula:
C20H21F4N5O3
M.W.:
455.41
14 activity values
10 unique targets
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
88.61
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1778639
Name:
2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl)biphenyl-2-yloxy)acetic Show More⌵
Mol. Formula:
C18H17F3O5S
M.W.:
402.39
36 activity values
21 unique targets
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
80.67
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE