Compounds

ALA4544573

Name:
N-(3-(4-(isoquinolin-1-yl)piperazin-1-yl)propyl)benzamide

Mol. Formula:
C23H26N4O

M.W.:
374.49

7 activity values

6 unique targets

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
48.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4531900

Name:
4-({3-[4-(Isoquinolin-1-yl)piperazin-1-yl]propyl}amino)-2H-chromen-2-one

Mol. Formula:
C25H26N4O2

M.W.:
414.51

8 activity values

7 unique targets

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
61.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA206156

Name:
9-cyclopropyl-6-fluoro-7-(5-methoxypyridin-3-yl)isothiazolo[5,4-b]quinolineShow More⌵

Mol. Formula:
C19H14FN3O3S

M.W.:
383.40

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
76.98

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA203935

Name:
9-cyclopropyl-6-fluoro-7-(4-methoxypyridin-3-yl)isothiazolo[5,4-b]quinolineShow More⌵

Mol. Formula:
C19H14FN3O3S

M.W.:
383.40

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
76.98

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA206553

Name:
9-cyclopropyl-7-(2,6-dimethoxypyridin-3-yl)-6-fluoroisothiazolo[5,4-b]quinoShow More⌵

Mol. Formula:
C20H16FN3O4S

M.W.:
413.43

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
86.21

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA206622

Name:
9-cyclopropyl-6-fluoro-7-(6-methylpyridin-3-yl)isothiazolo[5,4-b]quinoline-Show More⌵

Mol. Formula:
C19H14FN3O2S

M.W.:
367.41

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
67.75

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA379022

Name:
9-cyclopropyl-6-fluoro-7-(2-methylpyridin-3-yl)isothiazolo[5,4-b]quinoline-Show More⌵

Mol. Formula:
C19H14FN3O2S

M.W.:
367.41

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
67.75

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA378608

Name:
9-cyclopropyl-6-fluoro-7-(5-methylpyridin-2-yl)isothiazolo[5,4-b]quinoline-Show More⌵

Mol. Formula:
C19H14FN3O2S

M.W.:
367.41

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
67.75

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA204320

Name:
9-cyclopropyl-6-fluoro-7-(quinolin-8-yl)isothiazolo[5,4-b]quinoline-3,4(2H,Show More⌵

Mol. Formula:
C22H14FN3O2S

M.W.:
403.44

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
67.75

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA382172

Name:
9-cyclopropyl-6-fluoro-7-(isoquinolin-5-yl)isothiazolo[5,4-b]quinoline-3,4(Show More⌵

Mol. Formula:
C22H14FN3O2S

M.W.:
403.44

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
67.75

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA202753

Name:
9-cyclopropyl-6-fluoro-7-(isoquinolin-6-yl)isothiazolo[5,4-b]quinoline-3,4(Show More⌵

Mol. Formula:
C22H14FN3O2S

M.W.:
403.44

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
67.75

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA204762

Name:
9-cyclopropyl-6-fluoro-7-(1H-indol-2-yl)isothiazolo[5,4-b]quinoline-3,4(2H,Show More⌵

Mol. Formula:
C21H14FN3O2S

M.W.:
391.43

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
70.65

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA203851

Name:
9-cyclopropyl-6-fluoro-7-(1H-pyrrol-2-yl)isothiazolo[5,4-b]quinoline-3,4(2HShow More⌵

Mol. Formula:
C17H12FN3O2S

M.W.:
341.37

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
70.65

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA383328

Name:
9-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6-fluoroisothiazolo[5,4-b]quinolShow More⌵

Mol. Formula:
C20H16FN3O2S

M.W.:
381.43

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
67.75

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA202813

Name:
9-cyclopropyl-6-fluoro-7-(2-methylpyridin-4-yl)isothiazolo[5,4-b]quinoline-Show More⌵

Mol. Formula:
C19H14FN3O2S

M.W.:
367.41

36 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
67.75

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA203491

Name:
9-cyclopropyl-6-fluoro-7-(5-(pyrrolidin-2-yl)pyridin-3-yl)isothiazolo[5,4-bShow More⌵

Mol. Formula:
C22H19FN4O2S

M.W.:
422.49

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
79.78

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA380533

Name:
9-cyclopropyl-6-fluoro-7-(5-(piperidin-2-yl)pyridin-3-yl)isothiazolo[5,4-b]Show More⌵

Mol. Formula:
C23H21FN4O2S

M.W.:
436.51

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
79.78

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA425234

Name:
9-cyclopropyl-6-fluoro-7-(pyrimidin-5-yl)isothiazolo[5,4-b]quinoline-3,4(2HShow More⌵

Mol. Formula:
C17H11FN4O2S

M.W.:
354.37

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
80.64

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA382028

Name:
9-cyclopropyl-6-fluoro-7-(pyridin-4-yl)isothiazolo[5,4-b]quinoline-3,4(2H,9Show More⌵

Mol. Formula:
C18H12FN3O2S

M.W.:
353.38

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
67.75

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA425233

Name:
9-cyclopropyl-6-fluoro-7-(quinolin-5-yl)isothiazolo[5,4-b]quinoline-3,4(2H,Show More⌵

Mol. Formula:
C22H14FN3O2S

M.W.:
403.44

15 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
67.75

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS