Compounds

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ALA2089216
Name:
(R)-1-(4-(3-amino-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)phenyl)-3-(1-phenylShow More⌵
Mol. Formula:
C20H20N8O
M.W.:
388.44
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
133.64
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2089215
Name:
1-(4-(3-amino-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)phenyl)-3-(3-chloro-4-fShow More⌵
Mol. Formula:
C18H14ClFN8O
M.W.:
412.82
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
4.12
Polar Surface Area:
133.64
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2089214
Name:
1-(3-(3-amino-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)phenyl)-3-(3-tert-butylShow More⌵
Mol. Formula:
C19H22N10O
M.W.:
406.45
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
162.32
HBA:
7
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA2089213
Name:
(R)-1-(3-(3-amino-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)phenyl)-3-(1-phenylShow More⌵
Mol. Formula:
C20H20N8O
M.W.:
388.44
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
133.64
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2089212
Name:
1-(3-(3-amino-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)phenyl)-3-(3-chloro-4-fShow More⌵
Mol. Formula:
C18H14ClFN8O
M.W.:
412.82
14 activity values
13 unique targets
Type:
Small molecule
AlogP:
4.12
Polar Surface Area:
133.64
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2001378
Name:
SID103905285
Mol. Formula:
C9H9N5
M.W.:
187.21
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
0.70
Polar Surface Area:
90.71
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
4-Amino-2-chloropyrimidine-5-carbonitrile
Name:
SID103905432
Mol. Formula:
C5H3ClN4
M.W.:
154.56
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
0.58
Polar Surface Area:
75.59
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA1080583
Name:
2-(9-isopropyl-6-(3-(pyridin-2-yl)phenylamino)-9H-purin-2-ylamino)butan-1-oShow More⌵
Mol. Formula:
C23H27N7O
M.W.:
417.52
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
100.78
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE