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ALA4856177 Name:
N-(4-(3-isopropyl-2-methyl-2H-indazol-5-yl)pyrimid
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Mol. Formula:
C29H32N8
M.W.:
492.63
Type:
Unknown
AlogP:
5.20
Polar Surface Area:
75.00
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4848734 Name:
3-Acetyl-7-((4-(3-isopropyl-2-methyl-2H-indazol-5-
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Mol. Formula:
C30H30N6O4
M.W.:
538.61
Type:
Unknown
AlogP:
5.04
Polar Surface Area:
115.38
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4546596 Name:
N-(naphthalen-2-yl)-2-[4-(4-oxo-3,4-dihydroquinazo
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Mol. Formula:
C26H19N3O3
M.W.:
421.46
Type:
Unknown
AlogP:
4.76
Polar Surface Area:
84.08
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4550841 Name:
(N-butyl-2-[2-methoxy-4-(4-oxo-3,4-dihydroquinazol
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Mol. Formula:
C21H23N3O4
M.W.:
381.43
Type:
Unknown
AlogP:
2.89
Polar Surface Area:
93.31
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4777302 Name:
(7-cyclopentyl-2-(5-(piperazin-1-yl)pyridin-2-ylam
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Mol. Formula:
C26H34N8O
M.W.:
474.61
Type:
Unknown
AlogP:
3.72
Polar Surface Area:
91.21
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5221074 Name:
6-acetyl-8-cyclopentyl-2-[2-methoxy-4-(4-methylpip
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Mol. Formula:
C25H31N7O3
M.W.:
477.57
Type:
---
AlogP:
3.01
Polar Surface Area:
105.48
HBA:
10
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5221054 Name:
8-cyclopentyl-6-(2-furyl)-2-(4-morpholinoanilino)p
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Mol. Formula:
C25H26N6O3
M.W.:
458.52
Type:
---
AlogP:
4.14
Polar Surface Area:
98.31
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5221016 Name:
6-acetyl-8-cyclopentyl-2-[4-(4-ethylpiperazin-1-yl
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Mol. Formula:
C26H33N7O3
M.W.:
491.60
Type:
---
AlogP:
2.88
Polar Surface Area:
116.48
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5220828 Name:
6-acetyl-8-cyclopentyl-2-(4-morpholinoanilino)pter
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Mol. Formula:
C23H26N6O3
M.W.:
434.50
Type:
---
AlogP:
3.08
Polar Surface Area:
102.24
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5220823 Name:
6-acetyl-8-cyclopentyl-2-[4-(4-ethylpiperazin-1-yl
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Mol. Formula:
C25H31N7O2
M.W.:
461.57
Type:
---
AlogP:
3.39
Polar Surface Area:
96.25
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5220759 Name:
6-acetyl-8-cyclopentyl-2-[4-(1-piperidyl)anilino]p
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Mol. Formula:
C24H28N6O2
M.W.:
432.53
Type:
---
AlogP:
4.24
Polar Surface Area:
93.01
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5220597 Name:
6-acetyl-8-cyclopentyl-2-[4-[4-(4-methylpiperazin-
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Mol. Formula:
C29H38N8O2
M.W.:
530.68
Type:
---
AlogP:
3.46
Polar Surface Area:
99.49
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5220252 Name:
6-acetyl-8-cyclopentyl-2-(4-pyrrolidin-1-ylanilino
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Mol. Formula:
C23H26N6O2
M.W.:
418.50
Type:
---
AlogP:
3.85
Polar Surface Area:
93.01
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5220201 Name:
6-acetyl-8-cyclopentyl-2-[4-(4-cyclopentylpiperazi
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Mol. Formula:
C28H35N7O2
M.W.:
501.64
Type:
---
AlogP:
4.31
Polar Surface Area:
96.25
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5219478 Name:
8-cyclopentyl-2-[4-(4-ethylpiperazin-1-yl)anilino]
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Mol. Formula:
C27H31N7O2
M.W.:
485.59
Type:
---
AlogP:
4.45
Polar Surface Area:
92.32
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5218932 Name:
6-acetyl-2-[2-amino-4-(4-ethylpiperazin-1-yl)anili
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Mol. Formula:
C25H32N8O2
M.W.:
476.59
Type:
---
AlogP:
2.97
Polar Surface Area:
122.27
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5218782 Name:
6-acetyl-8-cyclopentyl-2-[4-(4-methylpiperazin-1-y
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Mol. Formula:
C24H29N7O2
M.W.:
447.54
Type:
---
AlogP:
3.00
Polar Surface Area:
96.25
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5208357 Name:
2-(2-chlorophenyl)-5,7-dihydroxy-8-((3R,4R)-4-hydr
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Mol. Formula:
C21H22ClNO5
M.W.:
403.86
Type:
---
AlogP:
3.24
Polar Surface Area:
90.23
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5194888 Name:
2-(2-chlorophenyl)-5,7-dihydroxy-8-((3R,4S)-4-hydr
Show More⌵
Mol. Formula:
C21H22ClNO5
M.W.:
403.86
Type:
---
AlogP:
3.24
Polar Surface Area:
90.23
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5193922 Name:
5,7-dihydroxy-8-((3R,4S)-3-hydroxy-1-methylpiperid
Show More⌵
Mol. Formula:
C21H23NO5
M.W.:
369.42
Type:
---
AlogP:
2.58
Polar Surface Area:
90.23
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
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