Compounds

Select all

ALA3542369
Name:
[14C]-(R)-4-fluoro-5-(6-(2-hydroxypropoxy)-5-methy
Show More⌵

Mol. Formula:
C19H17FN4O5
M.W.:
402.36

2 activity values

1 unique targets
Type:
Small molecule
AlogP:
2.91
Polar Surface Area:
121.97
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3542356
Name:
[14C]-(R)-1-(4-(4-fluoro-2-(hydroxymethyl)-1H-indo
Show More⌵

Mol. Formula:
C19H19FN4O4
M.W.:
388.38

7 activity values

2 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
ALA3542332
Name:
(1R,2S,5S)-N-((2S,3R)-4-amino-1-cyclobutyl-3-hydro
Show More⌵

Mol. Formula:
C27H47N5O5
M.W.:
521.70

47 activity values

15 unique targets
Type:
Small molecule
AlogP:
1.50
Polar Surface Area:
153.86
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3542272
Name:
[14C]-(1R,2S,5S)-N-((R)-4-amino-1-cyclobutyl-3,4-d
Show More⌵

Cas Number:
569677-41-4

Mol. Formula:
C27H45N5O5
M.W.:
519.69

22 activity values

12 unique targets
Type:
Small molecule
AlogP:
1.71
Polar Surface Area:
150.70
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA3542263
Name:
(S)-6-hydroxy-6-((3S,5R,8R,9R,10R,12R,13R,14R,17S)
Show More⌵

Mol. Formula:
C36H60O9
M.W.:
636.87

3 activity values

1 unique targets
Type:
Small molecule
AlogP:
3.50
Polar Surface Area:
156.91
HBA:
9
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3542247
Name:
(1R,2S,5S)-N-((2R,3R)-4-amino-1-cyclobutyl-3-hydro
Show More⌵

Mol. Formula:
C27H47N5O5
M.W.:
521.70

9 activity values

4 unique targets
Type:
Small molecule
AlogP:
1.50
Polar Surface Area:
153.86
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA1233448
Name:
(1R,2S,5S)-N-((S)-4-amino-1-cyclobutyl-3,4-dioxobu
Show More⌵

Cas Number:
569677-40-3

Mol. Formula:
C27H45N5O5
M.W.:
519.69

27 activity values

15 unique targets
Type:
Small molecule
AlogP:
1.71
Polar Surface Area:
150.70
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE