Compounds

ALA4779350

Name:
N-(2-Fluoro-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-caShow More⌵

Mol. Formula:
C18H14FN3O3

M.W.:
339.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
76.24

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4251455

Name:
(S)-4-(2-(azetidin-1-yl)-1-(4-chloro-3-cyanophenyl)ethylamino)benzo[d][1,2,Show More⌵

Mol. Formula:
C20H18ClN7O

M.W.:
407.87

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
120.82

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4249679

Name:
4-(3-fluorobenzylamino)benzo[d][1,2,3]triazine-8-carboxamide

Mol. Formula:
C15H12FN5O

M.W.:
297.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
93.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4249217

Name:
4-(4-(trifluoromethyl)benzylamino)benzo[d][1,2,3]triazine-8-carboxamide

Mol. Formula:
C16H12F3N5O

M.W.:
347.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
93.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4248429

Name:
(S)-4-(2-(azetidin-1-yl)-1-(3,4-dichlorophenyl)ethylamino)benzo[d][1,2,3]trShow More⌵

Mol. Formula:
C19H18Cl2N6O

M.W.:
417.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
97.03

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4247161

Name:
(S)-4-(1-(4-chloro-3-cyanophenyl)-2-(dimethylamino)ethylamino)benzo[d][1,2,Show More⌵

Mol. Formula:
C19H18ClN7O

M.W.:
395.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
120.82

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4246697

Name:
(S)-4-(1-(4-chloro-3-methoxyphenyl)-2-(dimethylamino)ethylamino)benzo[d][1,Show More⌵

Mol. Formula:
C19H21ClN6O2

M.W.:
400.87

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
106.26

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4246549

Name:
4-(3,4-dichlorobenzylamino)benzo[d][1,2,3]triazine-8-carboxamide

Mol. Formula:
C15H11Cl2N5O

M.W.:
348.19

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
93.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4245878

Name:
4-(pyridin-3-ylmethylamino)benzo[d][1,2,3]triazine-8-carboxamide

Mol. Formula:
C14H12N6O

M.W.:
280.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.13

Polar Surface Area:
106.68

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4244633

Name:
(S)-4-(2-(azetidin-1-yl)-1-(4-chloro-3-(trifluoromethyl)phenyl)ethylamino)bShow More⌵

Mol. Formula:
C20H18ClF3N6O

M.W.:
450.85

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
97.03

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4244183

Name:
(S)-4-(1-(3,4-dichlorophenyl)-2-(dimethylamino)ethylamino)benzo[d][1,2,3]trShow More⌵

Mol. Formula:
C18H18Cl2N6O

M.W.:
405.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
97.03

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4243808

Name:
(S)-4-(2-(azetidin-1-yl)-1-(4-chloro-3-methoxyphenyl)ethylamino)benzo[d][1,Show More⌵

Mol. Formula:
C20H21ClN6O2

M.W.:
412.88

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
106.26

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4242444

Name:
(S)-4-(2-(azetidin-1-yl)-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethylamino)bShow More⌵

Mol. Formula:
C20H18F4N6O

M.W.:
434.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
97.03

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4242275

Name:
4-(3-(trifluoromethyl)benzylamino)benzo[d][1,2,3]triazine-8-carboxamide

Mol. Formula:
C16H12F3N5O

M.W.:
347.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
93.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4242072

Name:
4-(pyridin-2-ylmethylamino)benzo[d][1,2,3]triazine-8-carboxamide

Mol. Formula:
C14H12N6O

M.W.:
280.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.13

Polar Surface Area:
106.68

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4241642

Name:
4-(4-chloro-3-(trifluoromethyl)benzylamino)benzo[d][1,2,3]triazine-8-carboxShow More⌵

Mol. Formula:
C16H11ClF3N5O

M.W.:
381.75

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
93.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4240429

Name:
(S)-4-(1-(4-chloro-3-(trifluoromethyl)phenyl)-2-(dimethylamino)ethylamino)bShow More⌵

Mol. Formula:
C19H18ClF3N6O

M.W.:
438.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
97.03

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4239130

Name:
4-((4-(trifluoromethyl)pyridin-2-yl)methylamino)benzo[d][1,2,3]triazine-8-cShow More⌵

Mol. Formula:
C15H11F3N6O

M.W.:
348.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
106.68

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4237918

Name:
4-(benzylamino)benzo[d][1,2,3]triazine-8-carboxamide

Mol. Formula:
C15H13N5O

M.W.:
279.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
93.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4115531

Name:
US9139568, 17

Mol. Formula:
C23H21N5O

M.W.:
383.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
92.93

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS