Compounds

ALA4091136

Name:
(5S,8S,11S,14S,17S,20S,23S,26R,29S,32S,35S,38S)-20,29-bis((1H-imidazol-5-ylShow More⌵

Mol. Formula:
C71H103N21O21S

M.W.:
1618.80

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4080848

Name:
(S)-2-((5S,8S,11R,14S,17S,23S,26S,29S,32S,35S)-14,29-bis((1H-imidazol-5-yl)Show More⌵

Mol. Formula:
C57H94N18O16S2

M.W.:
1351.62

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4076739

Name:
(5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S)-5-(2-amino-2-oxoethyl)-38-(Show More⌵

Mol. Formula:
C64H98N16O20

M.W.:
1411.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3318701

Name:
3-[4-(7-Chloro-quinolin-4-ylamino)-butyl]-5-(3-phenylallylidene)-2-thioxo-iShow More⌵

Mol. Formula:
C25H23ClN4OS

M.W.:
463.01

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
57.26

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3318700

Name:
3-[3-(7-Chloro-quinolin-4-ylamino)-propyl]-5-(3-phenylallylidene)-2-thioxo-Show More⌵

Mol. Formula:
C24H21ClN4OS

M.W.:
448.98

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
57.26

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3318699

Name:
3-[2-(7-Chloro-quinolin-4-ylamino)-ethyl]-5-(3-phenylallylidene)-2-thioxo-iShow More⌵

Mol. Formula:
C23H19ClN4OS

M.W.:
434.95

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
57.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3219153

Name:
7-chloro-N-(4-(6-methoxyquinolin-8-ylamino)pentyl)quinolin-4-amine

Mol. Formula:
C24H25ClN4O

M.W.:
420.94

19 activity values

6 unique targets

Type:
Small molecule

AlogP:
6.14

Polar Surface Area:
59.07

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2042200

Name:
(E)-N-(7-chloroquinolin-4-yl)-3-(4-nitrophenyl)acrylamide

Mol. Formula:
C18H12ClN3O3

M.W.:
353.77

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
85.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2042199

Name:
(E)-N-(7-chloroquinolin-4-yl)-3-(3-nitrophenyl)acrylamide

Mol. Formula:
C18H12ClN3O3

M.W.:
353.77

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
85.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2042198

Name:
(E)-N-(7-chloroquinolin-4-yl)-3-(2-nitrophenyl)acrylamide

Mol. Formula:
C18H12ClN3O3

M.W.:
353.77

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
85.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2042197

Name:
(E)-3-(4-Bromophenyl)-N-(7-chloroquinolin-4-yl)acrylamide

Mol. Formula:
C18H12BrClN2O

M.W.:
387.66

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2042196

Name:
(E)-3-(4-Chlorophenyl)-N-(7-chloroquinolin-4-yl)acrylamide

Mol. Formula:
C18H12Cl2N2O

M.W.:
343.21

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.19

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2042195

Name:
(E)-N-(7-chloroquinolin-4-yl)-3-(4-fluorophenyl)acrylamide

Mol. Formula:
C18H12ClFN2O

M.W.:
326.76

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2042194

Name:
(E)-N-(7-chloroquinolin-4-yl)-3-(3-fluorophenyl)acrylamide

Mol. Formula:
C18H12ClFN2O

M.W.:
326.76

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2042193

Name:
(E)-N-(7-chloroquinolin-4-yl)-3-(4-methoxyphenyl)acrylamide

Mol. Formula:
C19H15ClN2O2

M.W.:
338.79

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2042192

Name:
(E)-N-(7-chloroquinolin-4-yl)-3-(4-isopropylphenyl)acrylamide

Mol. Formula:
C21H19ClN2O

M.W.:
350.85

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.66

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2042191

Name:
(E)-N-(7-chloroquinolin-4-yl)-3-(4-tolyl)acrylamide

Mol. Formula:
C19H15ClN2O

M.W.:
322.80

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2042190

Name:
N-(7-chloroquinolin-4-yl)cinnamamide

Mol. Formula:
C18H13ClN2O

M.W.:
308.77

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2042189

Name:
(R)-N-((R)-1-((7-chloroquinolin-4-yl)amino)-1-oxo-4-phenylbutan-2-yl)-4-metShow More⌵

Mol. Formula:
C34H34ClN5O5

M.W.:
628.13

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.10

Polar Surface Area:
143.33

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA2042188

Name:
(R)-N-((R)-1-((7-chloroquinolin-4-yl)amino)-1-oxo-4-phenylbutan-2-yl)-4-metShow More⌵

Mol. Formula:
C34H34ClN5O5

M.W.:
628.13

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.10

Polar Surface Area:
143.33

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS