Compounds

ALA76599

Name:
1-(2-Amino-6-phenyl-pyrido[2,3-d]pyrimidin-7-yl)-3-tert-butyl-urea

Mol. Formula:
C18H20N6O

M.W.:
336.40

11 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
105.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA75188

Name:
1-tert-Butyl-3-[2-[3-(4-methyl-piperazin-1-yl)-propylamino]-6-(2,3,5,6-tetrShow More⌵

Mol. Formula:
C30H44N8O

M.W.:
532.74

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
98.31

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA432738

Name:
1-[2-Amino-6-(2,6-dichloro-phenyl)-pyrido[2,3-d]pyrimidin-7-yl]-3-ethyl-ureShow More⌵

Mol. Formula:
C16H14Cl2N6O

M.W.:
377.24

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
105.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA57347

Name:
1-tert-Butyl-3-{6-(2,6-dichloro-phenyl)-2-[3-(4-methyl-piperazin-1-yl)-propShow More⌵

Mol. Formula:
C26H34Cl2N8O

M.W.:
545.52

21 activity values

17 unique targets

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
98.31

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA299026

Name:
1-tert-Butyl-3-[6-(2,6-dichloro-phenyl)-2-(3-diethylamino-propylamino)-pyriShow More⌵

Mol. Formula:
C25H33Cl2N7O

M.W.:
518.49

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
95.07

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA301483

Name:
1-[6-(2,6-Dichloro-phenyl)-2-(4-diethylamino-butylamino)-pyrido[2,3-d]pyrimShow More⌵

Mol. Formula:
C24H31Cl2N7O

M.W.:
504.47

20 activity values

16 unique targets

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
95.07

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA57323

Name:
1-[2-Amino-6-(2,6-dimethyl-phenyl)-pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butyShow More⌵

Mol. Formula:
C20H24N6O

M.W.:
364.45

11 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
105.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA56236

Name:
1-[2-Amino-6-(2,3,5,6-tetramethyl-phenyl)-pyrido[2,3-d]pyrimidin-7-yl]-3-teShow More⌵

Mol. Formula:
C22H28N6O

M.W.:
392.51

17 activity values

12 unique targets

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
105.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

PD089828

Name:
1-[2-Amino-6-(2,6-dichloro-phenyl)-pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butyShow More⌵

Mol. Formula:
C18H18Cl2N6O

M.W.:
405.29

30 activity values

19 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
105.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

PD-166866

Name:
1-[2-Amino-6-(3,5-dimethoxy-phenyl)-pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butShow More⌵

Mol. Formula:
C20H24N6O3

M.W.:
396.45

1,924 activity values

31 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
124.28

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

PD-161570

Name:
1-tert-Butyl-3-[6-(2,6-dichloro-phenyl)-2-(4-diethylamino-butylamino)-pyridShow More⌵

Mol. Formula:
C26H35Cl2N7O

M.W.:
532.52

39 activity values

21 unique targets

Type:
Small molecule

AlogP:
6.45

Polar Surface Area:
95.07

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS