Compounds

ALA3092556

Name:
(S)-3-(7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-
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Mol. Formula:
C19H18ClN3O3

M.W.:
371.82

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
95.08

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3092555

Name:
N-benzhydryl-3-(7-chloro-4-oxo-3,4-dihydroquinazol
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Mol. Formula:
C24H20ClN3O2

M.W.:
417.90

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3092554

Name:
(R)-3-(7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-
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Mol. Formula:
C19H18ClN3O2

M.W.:
355.83

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3092552

Name:
3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-phenethylpr
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Mol. Formula:
C19H19N3O2

M.W.:
321.38

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3092551

Name:
N-(2-hydroxybenzyl)-3-(4-oxo-3,4-dihydroquinazolin
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Mol. Formula:
C18H17N3O3

M.W.:
323.35

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
95.08

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3092550

Name:
N-(4-nitrobenzyl)-3-(4-oxo-3,4-dihydroquinazolin-2
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Mol. Formula:
C18H16N4O4

M.W.:
352.35

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
117.99

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3092549

Name:
N-(2-chlorobenzyl)-3-(4-oxo-3,4-dihydroquinazolin-
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Mol. Formula:
C18H16ClN3O2

M.W.:
341.80

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3092548

Name:
2-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl
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Mol. Formula:
C20H19N3O2

M.W.:
333.39

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
66.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3092547

Name:
(S)-N-(2-hydroxy-1-phenylethyl)-3-(4-oxo-3,4-dihyd
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Mol. Formula:
C19H19N3O3

M.W.:
337.38

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
95.08

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3092546

Name:
N-benzhydryl-3-(4-oxo-3,4-dihydroquinazolin-2-yl)p
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Mol. Formula:
C24H21N3O2

M.W.:
383.45

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3092545

Name:
rac-N-(3,3-dimethyl-1-phenylbutyl)-3-(4-oxo-3,4-di
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Mol. Formula:
C23H27N3O2

M.W.:
377.49

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3092543

Name:
rac-3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-(1-(pyr
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Mol. Formula:
C18H18N4O2

M.W.:
322.37

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
87.74

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3092542

Name:
N-benzyl-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propa
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Mol. Formula:
C18H17N3O2

M.W.:
307.35

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3092535

Name:
rac-3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-(1-(pyr
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Mol. Formula:
C18H18N4O2

M.W.:
322.37

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
87.74

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3092534

Name:
(S)-N-(2-hydroxy-1-phenylethyl)-4-(4-oxo-3,4-dihyd
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Mol. Formula:
C20H21N3O3

M.W.:
351.41

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
95.08

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3092533

Name:
N-benzhydryl-4-(4-oxo-3,4-dihydroquinazolin-2-yl)b
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Mol. Formula:
C25H23N3O2

M.W.:
397.48

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3092532

Name:
(S)-N-(2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3,4-dih
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Mol. Formula:
C21H21N3O2

M.W.:
347.42

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3092531

Name:
(R)-N-(2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3,4-dih
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Mol. Formula:
C21H21N3O2

M.W.:
347.42

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3092530

Name:
(S)-4-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-(1-phen
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Mol. Formula:
C20H21N3O2

M.W.:
335.41

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3092529

Name:
(R)-4-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-(1-phen
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Mol. Formula:
C20H21N3O2

M.W.:
335.41

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS