Compounds

ALA2417796

Name:
4-(((7-bromo-3-methyl-2-((4-methylpiperazin-1-yl)m
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Mol. Formula:
C32H34BrN7O2

M.W.:
628.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
86.60

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA124240

Name:
4-[(7-Chloro-3-methyl-4-oxo-2-piperidin-1-ylmethyl
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Mol. Formula:
C31H35ClN8O2

M.W.:
587.13

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
101.18

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA122748

Name:
4-{[7-Chloro-3-methyl-4-oxo-2-(4-phenyl-piperazin-
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Mol. Formula:
C37H36ClN7O2

M.W.:
646.20

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
86.60

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA122506

Name:
4-{[7-Chloro-2-(4-ethyl-piperazin-1-ylmethyl)-3-me
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Mol. Formula:
C33H36ClN7O2

M.W.:
598.15

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
86.60

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA332517

Name:
{7-Chloro-4-oxo-2-piperidin-1-ylmethyl-6-[(prop-2-
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Mol. Formula:
C34H35ClN6O4

M.W.:
627.14

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
109.66

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA332428

Name:
4-{[7-Chloro-4-oxo-3-(2-oxo-2-piperidin-1-yl-ethyl
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Mol. Formula:
C38H42ClN7O3

M.W.:
680.25

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
103.67

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA122897

Name:
4-[(7-Chloro-3-diethylcarbamoylmethyl-4-oxo-2-pipe
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Mol. Formula:
C37H42ClN7O3

M.W.:
668.24

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
103.67

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA123756

Name:
4-{[7-Chloro-3-methyl-2-(4-methyl-piperazin-1-ylme
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Cas Number:
289715-28-2

Mol. Formula:
C32H34ClN7O2

M.W.:
584.12

11 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
86.60

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA68216

Name:
4-{[7-Chloro-2-(4-hydroxy-piperidin-1-ylmethyl)-3-
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Mol. Formula:
C32H33ClN6O3

M.W.:
585.11

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
103.59

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA333693

Name:
1-{7-Chloro-3-methyl-4-oxo-6-[(prop-2-ynyl-{4-[(py
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Mol. Formula:
C33H33ClN6O4

M.W.:
613.12

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
109.66

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA444334

Name:
4-{[7-Chloro-3-methyl-2-(4-methyl-piperazin-1-ylme
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Mol. Formula:
C32H37ClN8O2

M.W.:
601.15

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
91.53

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA123191

Name:
4-({7-Chloro-2-[4-(2-hydroxy-ethyl)-piperazin-1-yl
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Mol. Formula:
C33H36ClN7O3

M.W.:
614.15

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
106.83

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA120872

Name:
4-[(7-Chloro-2-diethylaminomethyl-3-methyl-4-oxo-3
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Cas Number:
289715-29-3

Mol. Formula:
C31H33ClN6O2

M.W.:
557.10

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
83.36

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA333094

Name:
4-[(7-Chloro-3-methyl-4-oxo-2-piperidin-1-ylmethyl
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Mol. Formula:
C32H33ClN6O2

M.W.:
569.11

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
83.36

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA124171

Name:
4-[(7-Chloro-3-methyl-4-oxo-2-pyrrolidin-1-ylmethy
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Mol. Formula:
C31H31ClN6O2

M.W.:
555.08

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
83.36

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA333876

Name:
4-[(7-Chloro-3-methyl-2-morpholin-4-ylmethyl-4-oxo
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Mol. Formula:
C31H31ClN6O3

M.W.:
571.08

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
92.59

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA123446

Name:
4-[(7-Bromo-2-methyl-4-oxo-3,4-dihydro-quinazolin-
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Cas Number:
206275-15-2

Mol. Formula:
C26H22BrN5O2

M.W.:
516.40

14 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
91.24

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS