Compounds

ALA2070935

Name:
3-((5-tert-butyl-1H-pyrazol-3-yl)methyl)-5-cyclopropyl-3H-[1,2,3]triazolo[4Show More⌵

Mol. Formula:
C15H20N8

M.W.:
312.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
111.19

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2070934

Name:
5-cyclopropyl-3-((8-methylimidazo[1,2-a]pyridin-2-yl)methyl)-3H-[1,2,3]triaShow More⌵

Mol. Formula:
C16H16N8

M.W.:
320.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
99.81

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2070933

Name:
tert-butyl 2-((7-amino-5-cyclopropyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yShow More⌵

Mol. Formula:
C18H27N7O2

M.W.:
373.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
112.05

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2070932

Name:
5-cyclopropyl-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3H-[1,2,3]triShow More⌵

Mol. Formula:
C16H16N6O2

M.W.:
324.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.50

Polar Surface Area:
100.97

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2070931

Name:
5-cyclopropyl-3-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)-3H-[1,2,3]triazoShow More⌵

Mol. Formula:
C19H22N6O

M.W.:
350.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
91.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2070930

Name:
6-((7-amino-5-cyclopropyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methyl)-4Show More⌵

Mol. Formula:
C16H23N7O2

M.W.:
345.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.71

Polar Surface Area:
112.05

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2070929

Name:
5-cyclopropyl-3-(4-(trifluoromethyl)benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimiShow More⌵

Mol. Formula:
C15H13F3N6

M.W.:
334.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
82.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2070928

Name:
5-cyclopropyl-3-((7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl)-3H-[1,2,3]trShow More⌵

Mol. Formula:
C15H15N9

M.W.:
321.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.08

Polar Surface Area:
112.70

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2070927

Name:
5-cyclopropyl-3-((2-methylimidazo[2,1-b]thiazol-6-yl)methyl)-3H-[1,2,3]triaShow More⌵

Mol. Formula:
C14H14N8S

M.W.:
326.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
99.81

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2070926

Name:
5-cyclopropyl-3-(1-(6-methylpyridin-2-yl)propan-2-yl)-3H-[1,2,3]triazolo[4,Show More⌵

Mol. Formula:
C16H19N7

M.W.:
309.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
95.40

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2070925

Name:
5-cyclopropyl-3-((2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)-3H-[1Show More⌵

Mol. Formula:
C18H21N7

M.W.:
335.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
85.75

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2070924

Name:
5-cyclopropyl-3-(2-(furan-2-ylmethylthio)ethyl)-3H-[1,2,3]triazolo[4,5-d]pyShow More⌵

Mol. Formula:
C14H16N6OS

M.W.:
316.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
95.65

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2070923

Name:
(S)-3-(1-cyclohexylethyl)-5-cyclopropyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-Show More⌵

Mol. Formula:
C15H22N6

M.W.:
286.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
82.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA2070922

Name:
2-((7-amino-5-cyclopropyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methyl)quShow More⌵

Mol. Formula:
C16H14N8O

M.W.:
334.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
128.26

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2070921

Name:
5-cyclopropyl-3-((2-phenyl-2H-1,2,3-triazol-4-yl)methyl)-3H-[1,2,3]triazoloShow More⌵

Mol. Formula:
C16H15N9

M.W.:
333.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
113.22

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2070920

Name:
3-(1-(1H-indol-5-yl)ethyl)-5-cyclopropyl-3H-[1,2,3]triazolo[4,5-d]pyrimidinShow More⌵

Mol. Formula:
C17H17N7

M.W.:
319.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
98.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2070919

Name:
5-cyclopropyl-3-((2,3-dihydrobenzofuran-5-yl)methyl)-3H-[1,2,3]triazolo[4,5Show More⌵

Mol. Formula:
C16H16N6O

M.W.:
308.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
91.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2070918

Name:
5-cyclopropyl-3-(2-(4-methylthiazol-5-yl)ethyl)-3H-[1,2,3]triazolo[4,5-d]pyShow More⌵

Mol. Formula:
C13H15N7S

M.W.:
301.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
95.40

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2070917

Name:
5-cyclopropyl-3-((5-phenyl-4H-1,2,4-triazol-3-yl)methyl)-3H-[1,2,3]triazoloShow More⌵

Mol. Formula:
C16H15N9

M.W.:
333.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.51

Polar Surface Area:
124.08

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2070916

Name:
5-cyclopropyl-3-((7-methylimidazo[1,2-a]pyridin-2-yl)methyl)-3H-[1,2,3]triaShow More⌵

Mol. Formula:
C16H16N8

M.W.:
320.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
99.81

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS