Compounds

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ALA2153586
Name:
2-{3-[5-(3'-Chlorobiphenyl-4-yl)-[1,3,4]oxadiazol-
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Mol. Formula:
C25H19ClN4O
M.W.:
426.91

8 activity values

5 unique targets
Type:
Small molecule
AlogP:
6.18
Polar Surface Area:
64.70
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
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ALA2153581
Name:
N-[{3-(3-trifluoromethyl-4-fluorophenyl)isoxazol-5
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Cas Number:
1314796-31-0

Mol. Formula:
C23H18F4N4O2
M.W.:
458.42

24 activity values

7 unique targets
Type:
Small molecule
AlogP:
5.08
Polar Surface Area:
80.91
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
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ALA2153446
Name:
(N-[(S)-1-(3'-Chlorobiphenyl-4-yl)ethyl])-(4-[1,8]
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Cas Number:
1314795-75-9

Mol. Formula:
C26H24ClN3O
M.W.:
429.95

8 activity values

5 unique targets
Type:
Small molecule
AlogP:
6.15
Polar Surface Area:
54.88
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
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ALA2153440
Name:
N-[(3'-Chlorobiphenyl-4-yl)methyl]-4-([1,8]naphthy
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Mol. Formula:
C25H22ClN3O
M.W.:
415.92

12 activity values

6 unique targets
Type:
Small molecule
AlogP:
5.59
Polar Surface Area:
54.88
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
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ALA2153439
Name:
N-[(3'-Methylbiphenyl-4-yl)methyl]-4-([1,8]naphthy
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Cas Number:
1314795-68-0

Mol. Formula:
C26H25N3O
M.W.:
395.51

20 activity values

8 unique targets
Type:
Small molecule
AlogP:
5.24
Polar Surface Area:
54.88
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE