Compounds

ALA4218162

Name:
(R)-2-((cis-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)Show More⌵

Mol. Formula:
C33H33N5O4

M.W.:
563.66

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
135.52

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4216680

Name:
(R)-1-(cis-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cShow More⌵

Mol. Formula:
C29H31N5O3

M.W.:
497.60

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
106.50

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4216163

Name:
(S)-2-((trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yShow More⌵

Mol. Formula:
C33H33N5O3

M.W.:
547.66

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
115.29

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4215201

Name:
(R)-2-((trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yShow More⌵

Mol. Formula:
C27H29N5O4

M.W.:
487.56

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
135.52

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4214689

Name:
(S)-2-((cis-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)Show More⌵

Mol. Formula:
C33H33N5O4

M.W.:
563.66

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
135.52

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4213372

Name:
7-(cis-4-(isopentylamino)cyclohexyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pShow More⌵

Mol. Formula:
C29H35N5O

M.W.:
469.63

Type:
Small molecule

AlogP:
6.59

Polar Surface Area:
77.99

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4213227

Name:
(R)-2-((trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yShow More⌵

Mol. Formula:
C33H33N5O4

M.W.:
563.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
135.52

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4212500

Name:
(R)-2-((trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yShow More⌵

Mol. Formula:
C27H29N5O3

M.W.:
471.56

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
115.29

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4212432

Name:
(R)-2-((cis-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)Show More⌵

Mol. Formula:
C30H35N5O3

M.W.:
513.64

Type:
Small molecule

AlogP:
6.05

Polar Surface Area:
115.29

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4212241

Name:
(S)-1-(cis-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cShow More⌵

Mol. Formula:
C29H31N5O3

M.W.:
497.60

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
106.50

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4211710

Name:
(R)-1-(trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-ylShow More⌵

Mol. Formula:
C29H31N5O3

M.W.:
497.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
106.50

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4210294

Name:
(R)-2-((cis-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)Show More⌵

Mol. Formula:
C33H33N5O3

M.W.:
547.66

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
115.29

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4209781

Name:
(S)-2-((trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yShow More⌵

Mol. Formula:
C33H33N5O4

M.W.:
563.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
135.52

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4209614

Name:
(S)-2-((cis-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)Show More⌵

Mol. Formula:
C27H29N5O3

M.W.:
471.56

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
115.29

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4209498

Name:
(R)-2-((trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yShow More⌵

Mol. Formula:
C30H35N5O3

M.W.:
513.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.05

Polar Surface Area:
115.29

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4208669

Name:
(S)-2-((cis-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)Show More⌵

Mol. Formula:
C30H35N5O3

M.W.:
513.64

Type:
Small molecule

AlogP:
6.05

Polar Surface Area:
115.29

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4208645

Name:
(S)-2-((trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yShow More⌵

Mol. Formula:
C27H29N5O4

M.W.:
487.56

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
135.52

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4207885

Name:
(S)-3-((cis-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)Show More⌵

Mol. Formula:
C28H29N5O3

M.W.:
483.57

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
104.29

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4207785

Name:
7-(trans-4-(isopentylamino)cyclohexyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-dShow More⌵

Mol. Formula:
C29H35N5O

M.W.:
469.63

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.59

Polar Surface Area:
77.99

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4207351

Name:
(S)-1-(trans-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-ylShow More⌵

Mol. Formula:
C29H31N5O3

M.W.:
497.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
106.50

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS