Compounds

ALA2036908

Name:
(E)-1-(2H-Chromen-2-oxo-3-ylethylidene)-2-(4-(4-io
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Mol. Formula:
C20H14IN3O2S

M.W.:
487.32

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
67.49

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA2036907

Name:
(E)-1-(4-(4-Iodophenyl)thiazol-2-yl)-2-(1-(naphtha
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Mol. Formula:
C21H16IN3S

M.W.:
469.35

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
37.28

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2036906

Name:
(E)-1-(4-(4-Iodophenyl)thiazol-2-yl)-2-(naphthalen
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Mol. Formula:
C20H14IN3S

M.W.:
455.32

28 activity values

15 unique targets

Type:
Small molecule

AlogP:
6.01

Polar Surface Area:
37.28

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2036905

Name:
(E)-1-(Benzo[d][1,3]dioxol-5-ylmethylene)-2-(4-(4-
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Mol. Formula:
C17H12IN3O2S

M.W.:
449.27

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
55.74

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2036904

Name:
(E)-1-((1H-Indol-3-yl)methylene)-2-(4-(4-iodopheny
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Mol. Formula:
C18H13IN4S

M.W.:
444.30

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
53.07

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2036903

Name:
(E)-1-(4-(4-Iodophenyl)thiazol-2-yl)-2-(1-(pyridin
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Mol. Formula:
C16H13IN4S

M.W.:
420.28

28 activity values

15 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
50.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2036902

Name:
(E)-1-(4-(4-Iodophenyl)thiazol-2-yl)-2-(pyridin-4-
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Mol. Formula:
C15H11IN4S

M.W.:
406.25

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
50.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2036901

Name:
(E)-1-(4-(4-Iodophenyl)thiazol-2-yl)-2-(1-(pyridin
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Mol. Formula:
C16H13IN4S

M.W.:
420.28

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
50.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2036900

Name:
(E)-4-(4-iodophenyl)-2-(2-(pyridin-3-ylmethylene)h
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Mol. Formula:
C15H11IN4S

M.W.:
406.25

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
50.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2036899

Name:
(E)-4-(4-iodophenyl)-2-(2-(1-(pyridin-2-yl)ethylid
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Mol. Formula:
C16H13IN4S

M.W.:
420.28

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
50.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2036898

Name:
(E)-1-(4-(4-Iodophenyl)thiazol-2-yl)-2-(1-(thiophe
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Mol. Formula:
C15H12IN3S2

M.W.:
425.32

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
37.28

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2036897

Name:
(E)-1-(4-(4-Iodophenyl)thiazol-2-yl)-2-(thiophen-2
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Mol. Formula:
C14H10IN3S2

M.W.:
411.29

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
37.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2036896

Name:
(E)-2-(2-(1-(furan-2-yl)ethylidene)hydrazinyl)-4-(
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Mol. Formula:
C15H12IN3OS

M.W.:
409.25

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
50.42

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2036895

Name:
(E)-2-(2-(furan-2-ylmethylene)hydrazinyl)-4-(4-iod
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Mol. Formula:
C14H10IN3OS

M.W.:
395.23

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
50.42

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2036894

Name:
1-Cycloheptylidene-2-(4-(4-iodophenyl)thiazol-2-yl
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Mol. Formula:
C16H18IN3S

M.W.:
411.31

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
37.28

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2036893

Name:
(E)-1-(4-(4-Iodophenyl)thiazol-2-yl)-2-(4-methylcy
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Mol. Formula:
C16H18IN3S

M.W.:
411.31

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
37.28

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2036892

Name:
(E)-1-(4-(4-Iodophenyl)thiazol-2-yl)-2-(3-methylcy
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Mol. Formula:
C16H18IN3S

M.W.:
411.31

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
37.28

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2036891

Name:
(E)-1-(4-(4-Iodophenyl)thiazol-2-yl)-2-(2-methylcy
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Mol. Formula:
C16H18IN3S

M.W.:
411.31

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
37.28

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2036890

Name:
1-Cyclohexylidene-2-(4-(4-iodophenyl)thiazol-2-yl)
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Mol. Formula:
C15H16IN3S

M.W.:
397.29

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
37.28

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2036889

Name:
(E)-1-(4-(4-Iodophenyl)thiazol-2-yl)-2-(3-methylcy
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Mol. Formula:
C15H16IN3S

M.W.:
397.29

28 activity values

15 unique targets

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
37.28

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS