Compounds

ALA5287417

Name:
6-Bromo-3-(3-fluorostyryl)-2-methylquinazolin-4(3H
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Mol. Formula:
C17H12BrFN2O

M.W.:
359.20

Type:
---

AlogP:
4.23

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5287292

Name:
butyl (1S,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrid
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Mol. Formula:
C17H22N2O2

M.W.:
286.38

Type:
---

AlogP:
3.09

Polar Surface Area:
54.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5287173

Name:
(3R)-N'-((E)-4-chlorobenzylidene)-1-methyl-2,3,4,9
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Mol. Formula:
C20H19ClN4O

M.W.:
366.85

Type:
---

AlogP:
3.55

Polar Surface Area:
69.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5286948

Name:
(3R)-N'-((E)-cyclohexylmethylene)-1-methyl-2,3,4,9
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Mol. Formula:
C20H26N4O

M.W.:
338.46

Type:
---

AlogP:
3.43

Polar Surface Area:
69.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5284642

Name:
6-Bromo-3-(2-chloro-5-nitrostyryl)-2-methylquinazo
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Mol. Formula:
C17H11BrClN3O3

M.W.:
420.65

Type:
---

AlogP:
4.66

Polar Surface Area:
78.03

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5283226

Name:
3-(2,6-dichlorostyryl)-2-phenylquinazolin-4(3H)-on
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Mol. Formula:
C22H14Cl2N2O

M.W.:
393.27

Type:
---

AlogP:
6.00

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5282272

Name:
6-Bromo-3-(4-chloro-3-nitrostyryl)-2-methylquinazo
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Mol. Formula:
C17H11BrClN3O3

M.W.:
420.65

Type:
---

AlogP:
4.66

Polar Surface Area:
78.03

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5281861

Name:
6-Bromo-2-methyl-3-(2-(trifluoromethyl)styryl)quin
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Mol. Formula:
C18H12BrF3N2O

M.W.:
409.21

Type:
---

AlogP:
5.11

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5281845

Name:
3-(2,3-dichlorostyryl)-2-(pyridin-4-yl)quinazolin-
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Mol. Formula:
C21H13Cl2N3O

M.W.:
394.26

Type:
---

AlogP:
5.39

Polar Surface Area:
47.78

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5281217

Name:
(3S)-N'-(4-chlorobenzylidene)-1-methyl-2,3,4,9-tet
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Mol. Formula:
C20H19ClN4O

M.W.:
366.85

Type:
---

AlogP:
3.55

Polar Surface Area:
69.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5281136

Name:
6-Bromo-3-(4-fluorostyryl)-2-methylquinazolin-4(3H
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Mol. Formula:
C17H12BrFN2O

M.W.:
359.20

Type:
---

AlogP:
4.23

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5280935

Name:
6-Bromo-3-(3-chlorostyryl)-2-methylquinazolin-4(3H
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Mol. Formula:
C17H12BrClN2O

M.W.:
375.65

Type:
---

AlogP:
4.75

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5280821

Name:
3-(2,3-dichlorostyryl)-2-methylquinazolin-4(3H)-on
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Mol. Formula:
C17H12Cl2N2O

M.W.:
331.20

Type:
---

AlogP:
4.64

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5280775

Name:
3-(3,5-dichlorostyryl)-2-phenylquinazolin-4(3H)-on
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Mol. Formula:
C22H14Cl2N2O

M.W.:
393.27

Type:
---

AlogP:
6.00

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5278374

Name:
3-(4-fluorostyryl)-2-(pyridin-4-yl)quinazolin-4(3H
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Mol. Formula:
C21H14FN3O

M.W.:
343.36

Type:
---

AlogP:
4.23

Polar Surface Area:
47.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5278122

Name:
3-(3,4-difluorostyryl)-2-phenylquinazolin-4(3H)-on
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Mol. Formula:
C22H14F2N2O

M.W.:
360.36

Type:
---

AlogP:
4.97

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5291381

Name:
(2R,5'S,7'R,7a'S)-1''-bromo-6-hydroxy-7'-phenyl-7'
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Mol. Formula:
C26H19BrN2O4S

M.W.:
535.42

Type:
---

AlogP:
4.43

Polar Surface Area:
70.08

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5290802

Name:
(2R,2'S,4'R)-6-hydroxy-4'-(4-methoxyphenyl)-1',1''
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Mol. Formula:
C27H24N2O5

M.W.:
456.50

Type:
---

AlogP:
3.32

Polar Surface Area:
79.31

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5290758

Name:
2-phenyl-3-(4-(trifluoromethyl)styryl)quinazolin-4
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Mol. Formula:
C23H15F3N2O

M.W.:
392.38

Type:
---

AlogP:
5.71

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5290627

Name:
6-Bromo-3-(3,4-dimethoxystyryl)-2-methylquinazolin
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Mol. Formula:
C19H17BrN2O3

M.W.:
401.26

Type:
---

AlogP:
4.11

Polar Surface Area:
53.35

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS