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ALA4092369 Name:
Glucopiericidin A
Cas Number:
108073-65-0
Mol. Formula:
C31H47NO9
M.W.:
577.72
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
150.96
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4089982 Name:
(S)-3-(2-bromophenyl)-2-(2-(4-methoxyphenyl)acetam
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Mol. Formula:
C26H27BrN2O3
M.W.:
495.42
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
67.43
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4649877 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-5,7-dih
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Mol. Formula:
C29H24N6O3
M.W.:
504.55
Type:
Unknown
AlogP:
5.33
Polar Surface Area:
114.05
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4649871 Name:
2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-ethyl
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Mol. Formula:
C29H33N7O2
M.W.:
511.63
Type:
Unknown
AlogP:
4.56
Polar Surface Area:
108.06
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4649211 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-6-isopr
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Mol. Formula:
C31H37N7O2
M.W.:
539.68
Type:
Unknown
AlogP:
5.19
Polar Surface Area:
108.06
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4649021 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-5,7-dih
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Mol. Formula:
C26H24N6O3
M.W.:
468.52
Type:
Unknown
AlogP:
3.96
Polar Surface Area:
114.05
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4648189 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-6-(1-me
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Mol. Formula:
C31H35N7O2
M.W.:
537.67
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
108.06
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4647586 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-6-methy
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Mol. Formula:
C30H35N7O2
M.W.:
525.66
Type:
Unknown
AlogP:
4.95
Polar Surface Area:
108.06
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4647311 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-7,8-dih
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Mol. Formula:
C28H30N6O3
M.W.:
498.59
Type:
Unknown
AlogP:
4.64
Polar Surface Area:
114.05
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4645739 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-5,7-dih
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Mol. Formula:
C27H28N6O3
M.W.:
484.56
Type:
Unknown
AlogP:
4.55
Polar Surface Area:
105.26
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4645662 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-6-cyclo
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Mol. Formula:
C30H33N7O2
M.W.:
523.64
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
108.06
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4645036 Name:
2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-cyclo
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Mol. Formula:
C31H33N7O2
M.W.:
535.65
Type:
Unknown
AlogP:
4.85
Polar Surface Area:
108.06
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4642809 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-6-cyclo
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Mol. Formula:
C31H35N7O2
M.W.:
537.67
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
108.06
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4642046 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-6-(1-me
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Mol. Formula:
C32H39N7O3
M.W.:
569.71
Type:
Unknown
AlogP:
4.96
Polar Surface Area:
117.29
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4641999 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-6-ethyl
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Mol. Formula:
C30H35N7O2
M.W.:
525.66
Type:
Unknown
AlogP:
4.95
Polar Surface Area:
108.06
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4640792 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-6-isopr
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Mol. Formula:
C30H35N7O2
M.W.:
525.66
Type:
Unknown
AlogP:
4.95
Polar Surface Area:
108.06
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4638556 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-6-isopr
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Mol. Formula:
C32H37N7O2
M.W.:
551.70
Type:
Unknown
AlogP:
5.48
Polar Surface Area:
108.06
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4638542 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-6-(2-me
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Mol. Formula:
C31H37N7O3
M.W.:
555.68
Type:
Unknown
AlogP:
4.58
Polar Surface Area:
117.29
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4638502 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-6-methy
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Mol. Formula:
C29H33N7O2
M.W.:
511.63
Type:
Unknown
AlogP:
4.56
Polar Surface Area:
108.06
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4638234 Name:
2-(3-(4-((4-(1H-Pyrazol-4-yl)phenyl)amino)-5,7-dih
Show More⌵
Mol. Formula:
C27H26N6O3
M.W.:
482.54
Type:
Unknown
AlogP:
4.36
Polar Surface Area:
114.05
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
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