Compounds

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ALA4754509
Name:
Methyl 4-(5-nitro-1-benzothiophene-2-amido)benzoat
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Cas Number:
478248-48-5

Mol. Formula:
C17H12N2O5S
M.W.:
356.36

6 activity values

5 unique targets
Type:
Unknown
AlogP:
3.85
Polar Surface Area:
98.54
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
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ALA4752914
Name:
N-(3-Carbamoylphenyl)quinoline-3-carboxamide

Mol. Formula:
C17H13N3O2
M.W.:
291.31

6 activity values

5 unique targets
Type:
Unknown
AlogP:
2.59
Polar Surface Area:
85.08
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
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ALA4752433
Name:
Tert-butyl N-{[2-(5-nitro-1-benzothiophene-2-amido
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Mol. Formula:
C21H21N3O5S
M.W.:
427.48

6 activity values

5 unique targets
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
110.57
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
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ALA4799615
Name:
Tert-butyl N-{[2-(quinoline-3-amido)phenyl]methyl}
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Mol. Formula:
C22H23N3O3
M.W.:
377.44

6 activity values

5 unique targets
Type:
Unknown
AlogP:
4.51
Polar Surface Area:
80.32
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
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ALA4741585
Name:
(4-fluorophenyl)(4-(2-(2-hydroxy-4-nitrophenyl)-4-
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Mol. Formula:
C28H18FN3O4
M.W.:
479.47

3 activity values

3 unique targets
Type:
Unknown
AlogP:
6.39
Polar Surface Area:
109.12
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE