Compounds

VU 0409551

Name:
(4-fluorophenyl)(2-(phenoxymethyl)-6,7-dihydrooxazolo[5,4-c]pyridin-5(4H)-yShow More⌵

Mol. Formula:
C20H17FN2O3

M.W.:
352.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.59

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

NCFP

Name:
N-(4-chloro-2-((4-fluoro-1,3-dioxoisoindolin-2-yl)methyl)phenyl)picolinamidShow More⌵

Mol. Formula:
C21H13ClFN3O3

M.W.:
409.80

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
79.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4218708

Name:
N-(6-fluoropyridin-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide

Mol. Formula:
C20H12FN5O2

M.W.:
373.35

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
97.73

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4218469

Name:
N-(5-cyanopyridin-2-yl)-6-(difluoro(pyrimidin-5-yl)methyl)quinoline-8-carboShow More⌵

Mol. Formula:
C21H12F2N6O

M.W.:
402.36

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
104.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4218025

Name:
6-(difluoro(pyrimidin-5-yl)methyl)-N-(6-ethylpyridin-2-yl)quinoline-8-carboShow More⌵

Mol. Formula:
C22H17F2N5O

M.W.:
405.41

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
80.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4217534

Name:
6-(difluoro(pyrimidin-5-yl)methyl)-N-(4-methylpyridin-2-yl)quinoline-8-carbShow More⌵

Mol. Formula:
C21H15F2N5O

M.W.:
391.38

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
80.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4217518

Name:
N-(5-fluoropyridin-2-yl)-6-(methoxy(pyrimidin-5-yl)methyl)quinoline-8-carboShow More⌵

Mol. Formula:
C21H16FN5O2

M.W.:
389.39

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
89.89

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4216777

Name:
N-(4-cyclopropylthiazol-2-yl)-6-(difluoro(pyrimidin-5-yl)methyl)quinoline-8Show More⌵

Mol. Formula:
C21H15F2N5OS

M.W.:
423.45

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
80.66

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4214288

Name:
N-(5-fluoropyridin-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide

Mol. Formula:
C20H12FN5O2

M.W.:
373.35

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
97.73

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4214216

Name:
6-(fluoro(pyrimidin-5-yl)methyl)-N-(5-fluoropyridin-2-yl)quinoline-8-carboxShow More⌵

Mol. Formula:
C20H13F2N5O

M.W.:
377.35

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
80.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4213773

Name:
N-(5-fluoropyridin-2-yl)-6-(5-fluoropyridin-3-yloxy)quinoline-8-carboxamide

Mol. Formula:
C20H12F2N4O2

M.W.:
378.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
77.00

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4213642

Name:
N-(4-methylthiazol-2-yl)-6-(1-(pyrimidin-5-yl)ethyl)quinoline-8-carboxamide

Mol. Formula:
C20H17N5OS

M.W.:
375.46

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
80.66

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4213104

Name:
6-(difluoro(pyrimidin-5-yl)methyl)-N-(6-methoxypyridin-2-yl)quinoline-8-carShow More⌵

Mol. Formula:
C21H15F2N5O2

M.W.:
407.38

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
89.89

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4210178

Name:
6-(methoxy(pyrimidin-5-yl)methyl)-N-(4-methylthiazol-2-yl)quinoline-8-carboShow More⌵

Mol. Formula:
C20H17N5O2S

M.W.:
391.46

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
89.89

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4209389

Name:
N-(6-methylpyridin-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide

Mol. Formula:
C21H15N5O2

M.W.:
369.38

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
97.73

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4208702

Name:
6-(difluoro(pyrimidin-5-yl)methyl)-N-(6-methylpyridin-2-yl)quinoline-8-carbShow More⌵

Mol. Formula:
C21H15F2N5O

M.W.:
391.38

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
80.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4207392

Name:
6-(difluoro(pyrimidin-5-yl)methyl)-N-(5-fluoropyridin-2-yl)quinoline-8-carbShow More⌵

Mol. Formula:
C20H12F3N5O

M.W.:
395.34

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
80.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4206725

Name:
6-(difluoro(pyrimidin-5-yl)methyl)-N-(5-methylpyridin-2-yl)quinoline-8-carbShow More⌵

Mol. Formula:
C21H15F2N5O

M.W.:
391.38

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
80.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4205831

Name:
6-(difluoro(pyrimidin-5-yl)methyl)-N-(4-methoxypyridin-2-yl)quinoline-8-carShow More⌵

Mol. Formula:
C21H15F2N5O2

M.W.:
407.38

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
89.89

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4205817

Name:
6-(Difluoro(pyrimidin-5-yl)methyl)-N-(4-methylthiazol-2-yl)quinoline-8-carbShow More⌵

Mol. Formula:
C19H13F2N5OS

M.W.:
397.41

30 activity values

15 unique targets

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
80.66

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS