Compounds

ALA565366

Name:
6-(2,6-dichlorophenyl)-8-methyl-2-(4-(4-methylpiperazine-1-carbonyl)phenylaShow More⌵

Mol. Formula:
C26H24Cl2N6O2

M.W.:
523.42

18 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
83.36

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA567068

Name:
6-(2,6-dichlorophenyl)-2-(4-(2,3-dihydroxypropylamino)phenylamino)-8-methylShow More⌵

Mol. Formula:
C23H21Cl2N5O3

M.W.:
486.36

18 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
112.30

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA410931

Name:
N-benzyl-1-[2-chloro-2-(4-fluorophenyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4Show More⌵

Mol. Formula:
C20H17ClFN5

M.W.:
381.84

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA270958

Name:
1-(2-chloro-2-phenylethyl)-N-(2-fluorobenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4Show More⌵

Mol. Formula:
C20H17ClFN5

M.W.:
381.84

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA412298

Name:
1-(2-chloro-2-phenylethyl)-N-(3-fluorobenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4Show More⌵

Mol. Formula:
C20H17ClFN5

M.W.:
381.84

15 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA272169

Name:
1-(2-chloro-2-phenylethyl)-N-(4-fluorobenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4Show More⌵

Mol. Formula:
C20H17ClFN5

M.W.:
381.84

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA408966

Name:
N-(3-chlorobenzyl)-1-[2-chloro-2-(4-chlorophenyl)ethyl]-1H-pyrazolo[3,4-d]pShow More⌵

Mol. Formula:
C20H16Cl3N5

M.W.:
432.74

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA270286

Name:
1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(4-fluorobenzyl)-1H-pyrazolo[3,4-d]pShow More⌵

Mol. Formula:
C20H16ClF2N5

M.W.:
399.83

8 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA261827

Name:
1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluorobenzyl)-1H-pyrazolo[3,4-d]pShow More⌵

Mol. Formula:
C20H16ClF2N5

M.W.:
399.83

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA411043

Name:
N-benzyl-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Mol. Formula:
C20H18ClN5

M.W.:
363.85

55 activity values

30 unique targets

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA270492

Name:
1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(2-fluorobenzyl)-1H-pyrazolo[3,4-d]pShow More⌵

Mol. Formula:
C20H16ClF2N5

M.W.:
399.83

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA273090

Name:
N-(2-chlorobenzyl)-1-[2-chloro-2-(4-fluorophenyl)ethyl]-1H-pyrazolo[3,4-d]pShow More⌵

Mol. Formula:
C20H16Cl2FN5

M.W.:
416.29

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.21

Polar Surface Area:
55.63

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS