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ALA5286730 Name:
N-(3,4-dimethylphenyl)-2-((4-oxo-3-(4-sulfamoylphenyl)-3,4-dihydrobenzo[g]qShow More⌵
Mol. Formula:
C28H24N4O4S2
M.W.:
544.66
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.53
Polar Surface Area:
124.15
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5286014 Name:
(S)-2-(4-(1-(1-Acryloylpiperidin-3-yl)-4-amino-1H-pyrazolo[3,4-d]pyrimidineShow More⌵
Mol. Formula:
C26H31N7O3
M.W.:
489.58
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.24
Polar Surface Area:
127.31
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5285419 Name:
(3S)-4-[[(1S)-1-[[(1S)-3-amino-1-[[(1S,2R)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(Show More⌵
Mol. Formula:
C58H88N16O23
M.W.:
1377.43
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5290328 Name:
(4S)-4-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2Show More⌵
Mol. Formula:
C106H134N24O28S
M.W.:
2224.44
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5209046 Name:
(E)-3-[(2S)-1-methylpyrrolidin-2-yl]-N-[4-[3-methyl-4-([1,2,4]triazolo[4,3-Show More⌵
Mol. Formula:
C30H27N9O2
M.W.:
545.61
Type:
---
AlogP:
4.98
Polar Surface Area:
133.36
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5203179 Name:
2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)Show More⌵
Mol. Formula:
C26H24N8O3
M.W.:
496.53
Type:
---
AlogP:
3.69
Polar Surface Area:
128.45
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5202846 Name:
(E)-N-[7-hydroxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-7-yloxy)aniShow More⌵
Mol. Formula:
C28H27N9O3
M.W.:
537.58
Type:
---
AlogP:
4.21
Polar Surface Area:
142.69
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5201973 Name:
(E)-N-[7-hydroxy-4-(4-imidazo[1,2-a]pyridin-6-yloxy-3-methyl-anilino)quinazShow More⌵
Mol. Formula:
C30H29N7O3
M.W.:
535.61
Type:
---
AlogP:
5.42
Polar Surface Area:
116.91
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5197486 Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2Show More⌵
Mol. Formula:
C81H120N28O20
M.W.:
1806.03
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5197344 Name:
(6S,9S,15S,18S,21S)-1-amino-9-(4-aminobutyl)-6-((S)-1-((3S,6S,12S,15S,18S,2Show More⌵
Mol. Formula:
C169H236N52O41S2
M.W.:
3716.20
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5194252 Name:
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[Show More⌵
Mol. Formula:
C88H114N24O21
M.W.:
1844.03
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5193878 Name:
(2S)-N-[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[2-[[(1R)-2-[[2-[[(1S)-1-[[(1S,2SShow More⌵
Mol. Formula:
C169H237N53O40S2
M.W.:
3715.22
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5193451 Name:
(E)-N-[7-hydroxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniliShow More⌵
Mol. Formula:
C29H28N8O3
M.W.:
536.60
Type:
---
AlogP:
4.81
Polar Surface Area:
129.80
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5192750 Name:
(E)-N-[7-hydroxy-4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methyl-anilino)quinazShow More⌵
Mol. Formula:
C30H29N7O3
M.W.:
535.61
Type:
---
AlogP:
5.42
Polar Surface Area:
116.91
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5190132 Name:
(E)-N-[7-hydroxy-4-(3-methyl-4-pyrazolo[1,5-a]pyrimidin-6-yloxy-anilino)quiShow More⌵
Mol. Formula:
C29H28N8O3
M.W.:
536.60
Type:
---
AlogP:
4.81
Polar Surface Area:
129.80
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5184610 Name:
(E)-N-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilShow More⌵
Mol. Formula:
C30H31N9O3
M.W.:
565.64
Type:
---
AlogP:
4.90
Polar Surface Area:
131.69
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5183924 Name:
N-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]Show More⌵
Mol. Formula:
C25H21FN8O3
M.W.:
500.49
Type:
---
AlogP:
4.73
Polar Surface Area:
128.45
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5182443 Name:
N(6S,9S,15S,18S,21S)-1-amino-6-((S)-1-((S)-6-amino-2-((2S,3S)-2-((S)-2-aminShow More⌵
Mol. Formula:
C56H99N21O13
M.W.:
1274.54
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5181694 Name:
(E)-N-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilShow More⌵
Mol. Formula:
C30H30FN9O3
M.W.:
583.63
Type:
---
AlogP:
5.20
Polar Surface Area:
131.69
HBA:
11
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5180965 Name:
(E)-N-[7-hydroxy-4-[3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)aniliShow More⌵
Mol. Formula:
C29H28N8O3
M.W.:
536.60
Type:
---
AlogP:
4.81
Polar Surface Area:
129.80
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
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