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ALA5281735 Name:
3',6-dimethoxy-N-(4-(4-((1-methylpiperidin-4-yl)oxy)styryl)phenyl)-[1,1'-biShow More⌵
Mol. Formula:
C35H36N2O4
M.W.:
548.68
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
7.27
Polar Surface Area:
60.03
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5277800 Name:
1-(4-methylbenzyl)-N-(4-(4-((1-methylpiperidin-4-yl)oxy)styryl)phenyl)-1H-1Show More⌵
Mol. Formula:
C31H33N5O2
M.W.:
507.64
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.53
Polar Surface Area:
72.28
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5275802 Name:
3',6-dimethoxy-N-((1r,4r)-4-(4-((4-methylcyclohexyl)oxy)phenyl)cyclohexyl)-Show More⌵
Mol. Formula:
C34H41NO4
M.W.:
527.71
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
7.78
Polar Surface Area:
56.79
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5207830 Name:
Mol. Formula:
C171H244N54O41S2
M.W.:
3776.30
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5199975 Name:
(S)-3-(2-chlorophenyl)-2-((2R,3R)-3-((1S,3S,5S)-2-((3R,4S,5S)-4-((S)-N,3-diShow More⌵
Mol. Formula:
C40H64ClN5O8
M.W.:
778.43
Type:
---
AlogP:
3.76
Polar Surface Area:
166.61
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5199856 Name:
(S)-2-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-((S)-2-(dimethylamino)-3-methyShow More⌵
Mol. Formula:
C37H70N6O8
M.W.:
727.00
Type:
---
AlogP:
2.67
Polar Surface Area:
169.85
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5197470 Name:
((2R,3R)-3-((2S,4S)-1-((3R,4S,5S)-4-((S)-N,3-dimethyl-2-((S)-3-methyl-2-(meShow More⌵
Mol. Formula:
C39H64FN5O8
M.W.:
749.97
Type:
---
AlogP:
3.05
Polar Surface Area:
166.61
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5193971 Name:
Mol. Formula:
C213H288N60O51S2
M.W.:
4569.15
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5192714 Name:
((2R,3R)-3-((1S,3S,5S)-2-((3R,4S,5S)-4-((S)-N,3-dimethyl-2-((S)-3-methyl-2-Show More⌵
Mol. Formula:
C40H65N5O8
M.W.:
743.99
Type:
---
AlogP:
3.10
Polar Surface Area:
166.61
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5192041 Name:
(S)-4-ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[Show More⌵
Mol. Formula:
C57H68N10O16S
M.W.:
1181.29
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5188884 Name:
(S)-2-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-N,3-dimethyl-2-((S)-3-methyl-2-(Show More⌵
Mol. Formula:
C39H64FN5O8
M.W.:
749.97
Type:
---
AlogP:
3.24
Polar Surface Area:
166.61
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5181616 Name:
(S)-2-((2R,3R)-3-((1S,3S,5S)-2-((3R,4S,5S)-4-((S)-N,3-dimethyl-2-((S)-3-metShow More⌵
Mol. Formula:
C40H64FN5O8
M.W.:
761.98
Type:
---
AlogP:
3.24
Polar Surface Area:
166.61
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5176980 Name:
Mol. Formula:
C178H253N55O42S
M.W.:
3867.39
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5176818 Name:
Mol. Formula:
C199H270N58O47S4
M.W.:
4354.98
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5175576 Name:
Mol. Formula:
C171H244N54O40S2
M.W.:
3760.30
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5171913 Name:
Mol. Formula:
C199H270N58O49S4
M.W.:
4386.97
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5080241 Name:
2'-Deoxy-2',2',5-trifluorocytidine
Mol. Formula:
C9H10F3N3O4
M.W.:
281.19
Type:
Unknown
AlogP:
-1.15
Polar Surface Area:
110.60
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4799459 Name:
Ethyl 4-(((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(carbamoyloxy)-13-hydroxy-8,Show More⌵
Mol. Formula:
C38H55N3O10
M.W.:
713.87
Type:
Unknown
AlogP:
3.72
Polar Surface Area:
192.58
HBA:
11
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4799181 Name:
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetrShow More⌵
Mol. Formula:
C34H48N4O9
M.W.:
656.78
Type:
Unknown
AlogP:
1.97
Polar Surface Area:
186.59
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4799122 Name:
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetrShow More⌵
Mol. Formula:
C38H48N4O10
M.W.:
720.82
Type:
Unknown
AlogP:
3.51
Polar Surface Area:
195.82
HBA:
11
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
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