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ALA3975634 Name:
US8889696, Staurosporine::US9051313, Staurosporine
Mol. Formula:
C27H24N4O3
M.W.:
452.51
Type:
Small molecule
AlogP:
4.75
Polar Surface Area:
72.94
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5276100 Name:
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluoro-benzi
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Mol. Formula:
C27H27FN8O4
M.W.:
546.56
Type:
---
AlogP:
3.72
Polar Surface Area:
152.16
HBA:
12
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5094921 Name:
5-chloro-2-fluoro-N-(4-(4-(1-isopropylpiperidin-4-
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Mol. Formula:
C26H28ClFN6O3S
M.W.:
559.07
Type:
Unknown
AlogP:
5.17
Polar Surface Area:
113.10
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA570425 Name:
N-(2-(5-(4-ethoxybenzylidene)-2,4-dioxothiazolidin
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Mol. Formula:
C16H18N2O4S
M.W.:
334.40
Type:
Small molecule
AlogP:
2.26
Polar Surface Area:
75.71
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA577105 Name:
3-(2-(dimethylamino)ethyl)-5-(4-ethoxybenzylidene)
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Mol. Formula:
C16H20N2O3S
M.W.:
320.41
Type:
Small molecule
AlogP:
2.68
Polar Surface Area:
49.85
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA570003 Name:
3-(2-aminoethyl)-5-(3-nitrobenzylidene)thiazolidin
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Mol. Formula:
C12H11N3O4S
M.W.:
293.30
Type:
Small molecule
AlogP:
1.59
Polar Surface Area:
106.54
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA576895 Name:
3-(2-aminoethyl)-5-(4-nitrobenzylidene)thiazolidin
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Cas Number:
726152-87-0
Mol. Formula:
C12H11N3O4S
M.W.:
293.30
Type:
Small molecule
AlogP:
1.59
Polar Surface Area:
106.54
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA577953 Name:
3-(2-aminoethyl)-5-(3-fluorobenzylidene)thiazolidi
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Mol. Formula:
C12H11FN2O2S
M.W.:
266.30
Type:
Small molecule
AlogP:
1.82
Polar Surface Area:
63.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA569743 Name:
3-(2-aminoethyl)-5-(4-fluorobenzylidene)thiazolidi
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Cas Number:
779314-09-9
Mol. Formula:
C12H11FN2O2S
M.W.:
266.30
Type:
Small molecule
AlogP:
1.82
Polar Surface Area:
63.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA569545 Name:
3-(2-aminoethyl)-5-(2-ethoxybenzylidene)thiazolidi
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Mol. Formula:
C14H16N2O3S
M.W.:
292.36
Type:
Small molecule
AlogP:
2.08
Polar Surface Area:
72.63
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
Type:
Small molecule
AlogP:
4.75
Polar Surface Area:
111.28
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.42
Polar Surface Area:
81.59
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
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