Compounds

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ALA4176483
Name:
7-amino-3-methyl-N-(4-(piperazin-1-yl)phenethyl)thieno[3,2-b]pyrazine-6-carShow More⌵
Mol. Formula:
C20H24N6OS
M.W.:
396.52
4 activity values
3 unique targets
Type:
Small molecule
AlogP:
1.96
Polar Surface Area:
96.17
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4174196
Name:
N-(4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2,5-difluorophenethyl)-7-amino-3-mShow More⌵
Mol. Formula:
C22H25ClF2N6OS
M.W.:
495.00
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.77
Polar Surface Area:
96.17
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4173102
Name:
N-(4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-chlorophenethyl)-7-amino-3-methyShow More⌵
Mol. Formula:
C22H26Cl2N6OS
M.W.:
493.46
4 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.15
Polar Surface Area:
96.17
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4169696
Name:
N-(4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenethyl)-7-amino-3-methyShow More⌵
Mol. Formula:
C22H26ClFN6OS
M.W.:
477.01
4 activity values
3 unique targets
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
96.17
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4166283
Name:
N-((2S)-2-(4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl)propyl)-7-aShow More⌵
Mol. Formula:
C23H27FN6OS
M.W.:
454.58
4 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
96.17
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4162425
Name:
7-amino-N-(3-chloro-4-(piperazin-1-yl)phenethyl)-3-methylthieno[3,2-b]pyrazShow More⌵
Mol. Formula:
C20H23ClN6OS
M.W.:
430.97
4 activity values
3 unique targets
Type:
Small molecule
AlogP:
2.62
Polar Surface Area:
96.17
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4160957
Name:
N-((2R)-2-(4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-fluorophenyl)propyl)-7-aShow More⌵
Mol. Formula:
C23H27FN6OS
M.W.:
454.58
4 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
96.17
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4159041
Name:
7-amino-N-(2,5-difluoro-4-(piperazin-1-yl)phenethyl)-3-methylthieno[3,2-b]pShow More⌵
Mol. Formula:
C20H22F2N6OS
M.W.:
432.50
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.24
Polar Surface Area:
96.17
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE