Compounds

ALA5273209

Name:
6-[4-(5,7-dihydroxy-4-oxo-2-phenyl-chromen-8-yl)oxytriazol-1-yl]-N-[2-(2,6-Show More⌵

Mol. Formula:
C36H30N6O10

M.W.:
706.67

Type:
---

AlogP:
3.86

Polar Surface Area:
223.26

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4876797

Name:
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4-(2-(2-(2-(2-(2-(2,6-dioxopiperidin-3-Show More⌵

Mol. Formula:
C36H41N7O9

M.W.:
715.76

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.90

Polar Surface Area:
210.15

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4876012

Name:
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4-(2-(4-(2-(2,6-dioxopiperidin-3-yl)-1,Show More⌵

Mol. Formula:
C34H37N7O7

M.W.:
655.71

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
191.69

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4866904

Name:
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4-(16-(2-(2,6-dioxopiperidin-3-yl)-1,3-Show More⌵

Mol. Formula:
C40H49N7O10

M.W.:
787.87

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.70

Polar Surface Area:
219.38

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4858029

Name:
4-(4-(2-(5-cyclobutyl-1H-pyrazol-3-ylamino)-2-oxoethyl)phenoxy)-N-(2-(2-(2-Show More⌵

Mol. Formula:
C38H45N7O9

M.W.:
743.82

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
210.15

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4856032

Name:
4-(4-(2-(5-cyclobutyl-1H-pyrazol-3-ylamino)-2-oxoethyl)phenoxy)-N-(3-(2-(2-Show More⌵

Mol. Formula:
C42H53N7O10

M.W.:
815.92

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
219.38

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4855660

Name:
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4-(16-(2-(2,6-dioxopiperidin-3-yl)-1,3-Show More⌵

Mol. Formula:
C40H49N7O10

M.W.:
787.87

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.70

Polar Surface Area:
219.38

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4851200

Name:
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4-(2-(8-(2-(2,6-dioxopiperidin-3-yl)-1,Show More⌵

Mol. Formula:
C38H45N7O7

M.W.:
711.82

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
191.69

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4848546

Name:
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(3-(1-(2-(2,6-dioxopiperidin-3-yl)-1,3-dShow More⌵

Mol. Formula:
C42H53N7O12

M.W.:
847.92

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
237.84

HBA:
14

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4749239

Name:
6-(4-((5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yloxy)methyl)-1H-1,2,3-triShow More⌵

Mol. Formula:
C37H32N6O10

M.W.:
720.70

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
223.26

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4649580

Name:
4-(2,6-dichlorobenzamido)-N-(1-(6-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxShow More⌵

Mol. Formula:
C37H38Cl2N8O9

M.W.:
809.66

7 activity values

5 unique targets

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
229.07

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4633700

Name:
4-(2,6-dichlorobenzamido)-N-(1-(2-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,Show More⌵

Mol. Formula:
C37H38Cl2N8O11

M.W.:
841.66

9 activity values

4 unique targets

Type:
Unknown

AlogP:
1.32

Polar Surface Area:
247.53

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

THAL SNS 032

Name:
N-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-yl)-1-(14-(2-(2,6-dioxoShow More⌵

Mol. Formula:
C40H52N8O10S2

M.W.:
869.04

999 activity values

26 unique targets

Type:
Unknown

AlogP:
3.05

Polar Surface Area:
223.63

HBA:
16

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

PROTAC CDK9 Degrader-1

Name:
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4-(5-(2-(2,6-dioxopiperidin-3-yl)-1,3-dShow More⌵

Mol. Formula:
C33H35N5O7

M.W.:
613.67

7 activity values

1 unique targets

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
159.79

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS