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ALA5087297 Name:
2-(1-(2-(5-chloro-2,4-dimethoxyphenylamino)-2-oxoe
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Cas Number:
1052722-45-8
Mol. Formula:
C20H18ClN3O7
M.W.:
447.83
Type:
Unknown
AlogP:
1.56
Polar Surface Area:
128.86
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA3885499 Name:
4-((7-(2-ethylphenyl)benzo[b]thiophen-2-yl)methyla
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Mol. Formula:
C21H23NO2S
M.W.:
353.49
Type:
Small molecule
AlogP:
5.09
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3885415 Name:
2-(3-((7-(2-ethylphenyl)benzo[b]thiophen-2-yl)meth
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Mol. Formula:
C25H23NO2S
M.W.:
401.53
Type:
Small molecule
AlogP:
6.37
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3885401 Name:
4-((7-o-tolylbenzo[b]thiophen-2-yl)methylamino)but
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Mol. Formula:
C20H21NO2S
M.W.:
339.46
Type:
Small molecule
AlogP:
4.83
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3885357 Name:
4-((7-(6-methoxynaphthalen-2-yl)benzo[b]thiophen-2
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Mol. Formula:
C24H23NO3S
M.W.:
405.52
Type:
Small molecule
AlogP:
5.68
Polar Surface Area:
58.56
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3885229 Name:
2-amino-3-((7-(2-ethylphenyl)benzo[b]thiophen-2-yl
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Mol. Formula:
C20H22N2O2S
M.W.:
354.48
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
75.35
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3885195 Name:
2-(4-((7-(2-ethylphenyl)benzo[b]thiophen-2-yl)meth
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Mol. Formula:
C25H23NO2S
M.W.:
401.53
Type:
Small molecule
AlogP:
6.37
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3885187 Name:
5-((4-(2-ethylphenyl)benzo[b]thiophen-2-yl)methyla
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Mol. Formula:
C22H25NO2S
M.W.:
367.51
Type:
Small molecule
AlogP:
5.48
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA3885151 Name:
4-((7-m-tolylbenzo[b]thiophen-2-yl)methylamino)but
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Mol. Formula:
C20H21NO2S
M.W.:
339.46
Type:
Small molecule
AlogP:
4.83
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3885068 Name:
4-(((4-(2-ethylphenyl)benzo[b]thiophen-2-yl)methyl
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Mol. Formula:
C25H23NO2S
M.W.:
401.53
Type:
Small molecule
AlogP:
6.12
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA3885035 Name:
1-((7-(2-ethylphenyl)benzo[b]thiophen-2-yl)methyl)
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Mol. Formula:
C21H21NO2S
M.W.:
351.47
Type:
Small molecule
AlogP:
4.65
Polar Surface Area:
40.54
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3885034 Name:
3-((4-(2-ethylphenyl)benzo[b]thiophen-2-yl)methyla
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Mol. Formula:
C20H21NO2S
M.W.:
339.46
Type:
Small molecule
AlogP:
4.70
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3884995 Name:
2-methyl-3-((5-(naphthalen-2-yl)benzo[b]thiophen-2
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Mol. Formula:
C23H21NO2S
M.W.:
375.49
Type:
Small molecule
AlogP:
5.53
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3884986 Name:
4-((7-(naphthalen-1-yl)benzo[b]thiophen-2-yl)methy
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Mol. Formula:
C23H21NO2S
M.W.:
375.49
Type:
Small molecule
AlogP:
5.68
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3884941 Name:
4-(((5-(naphthalen-2-yl)benzo[b]thiophen-2-yl)meth
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Mol. Formula:
C27H21NO2S
M.W.:
423.54
Type:
Small molecule
AlogP:
6.71
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3884888 Name:
4-((7-(4-tert-butylphenyl)benzo[b]thiophen-2-yl)me
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Mol. Formula:
C23H27NO2S
M.W.:
381.54
Type:
Small molecule
AlogP:
5.82
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3884862 Name:
2-amino-3-((4-(2-ethylphenyl)benzo[b]thiophen-2-yl
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Mol. Formula:
C20H22N2O2S
M.W.:
354.48
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
75.35
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3884809 Name:
4-((7-(biphenyl-3-yl)benzo[b]thiophen-2-yl)methyla
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Mol. Formula:
C25H23NO2S
M.W.:
401.53
Type:
Small molecule
AlogP:
6.19
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA3884795 Name:
4-((7-(4-(trifluoromethyl)phenyl)benzo[b]thiophen-
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Mol. Formula:
C20H18F3NO2S
M.W.:
393.43
Type:
Small molecule
AlogP:
5.54
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3884740 Name:
2-((7-(2-ethylphenyl)benzo[b]thiophen-2-yl)methyla
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Mol. Formula:
C19H19NO2S
M.W.:
325.43
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
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