The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA230286 Name:
4-(3,methylhydroxy3-methyltriaz-1-ene)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimiShow More⌵
Mol. Formula:
C25H24N8O2
M.W.:
468.52
Type:
Small molecule
AlogP:
4.72
Polar Surface Area:
127.99
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA112245 Name:
N-{3-[(1Z)-3-(2-morpholin)triaz-1-enyl]phenyl}-4-pyridin-3-ylpyrimidin-2-amShow More⌵
Mol. Formula:
C21H24N8O
M.W.:
404.48
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
99.92
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA326925 Name:
N-{3-[(1Z)-3-(2-methoxyethyl)triaz-1-enyl]phenyl}-4-pyridin-3-ylpyrimidin-2Show More⌵
Mol. Formula:
C18H19N7O
M.W.:
349.40
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
96.68
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA326753 Name:
4-Amino-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamidShow More⌵
Mol. Formula:
C23H20N6O
M.W.:
396.45
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
105.82
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA113534 Name:
4-(3,ethylchloro3-methyltriaz-1-ene)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidiShow More⌵
Mol. Formula:
C26H25ClN8O
M.W.:
500.99
Type:
Small molecule
AlogP:
6.01
Polar Surface Area:
107.76
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA113302 Name:
4-Amino-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
Mol. Formula:
C22H18N6O
M.W.:
382.43
Type:
Small molecule
AlogP:
4.12
Polar Surface Area:
105.82
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA113486 Name:
4-[3-(2-methoxyethyl)triazanyl]-N-[3-(4-pyridin-3-ylpyrimidineamino)phenyl]Show More⌵
Mol. Formula:
C25H24N8O2
M.W.:
468.52
Type:
Small molecule
AlogP:
4.96
Polar Surface Area:
125.78
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA109329 Name:
4-3,3-dimethyltriaz-1-ene-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylaminoShow More⌵
Mol. Formula:
C25H24N8O
M.W.:
452.52
Type:
Small molecule
AlogP:
5.40
Polar Surface Area:
107.76
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
Imatinib (STI571) Name:
4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2Show More⌵
Mol. Formula:
C29H31N7O
M.W.:
493.62
Type:
Small molecule
AlogP:
4.59
Polar Surface Area:
86.28
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA57553 Name:
N-(4-Pyridin-3-yl-pyrimidin-2-yl)-benzene-1,3-diamine
Mol. Formula:
C15H13N5
M.W.:
263.30
Type:
Small molecule
AlogP:
2.86
Polar Surface Area:
76.72
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
Temozolomide Name:
3-Methyl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acShow More⌵
Mol. Formula:
C6H6N6O2
M.W.:
194.15
Type:
Small molecule
AlogP:
-2.08
Polar Surface Area:
108.17
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description