Compounds

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
54.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1092064

Name:
(R)-1-(7-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-m
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Mol. Formula:
C15H15ClN4O

M.W.:
302.76

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
54.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1092881

Name:
N-methyl-4-(3-(methylamino)pyrrolidin-1-yl)benzofu
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Mol. Formula:
C17H19N5O2

M.W.:
325.37

Type:
Small molecule

AlogP:
1.53

Polar Surface Area:
83.29

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1091568

Name:
1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-methy
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Mol. Formula:
C16H17ClN4O

M.W.:
316.79

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
54.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1091567

Name:
1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-methy
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Mol. Formula:
C16H17ClN4O

M.W.:
316.79

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
54.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1090520

Name:
8-chloro-4-(tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(
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Mol. Formula:
C17H17ClN4O

M.W.:
328.80

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
54.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1090519

Name:
1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N,3-dim
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Mol. Formula:
C16H17ClN4O

M.W.:
316.79

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
54.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1091389

Name:
1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-ethyl
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Mol. Formula:
C16H17ClN4O

M.W.:
316.79

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
54.19

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1093180

Name:
8-chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d
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Cas Number:
489402-96-2

Mol. Formula:
C15H15ClN4O

M.W.:
302.76

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
45.40

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1077756

Name:
2-Cyano-1-ethyl-3-[4-(1H-imidazol-4-yl)butyl]guani
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Mol. Formula:
C11H18N6

M.W.:
234.31

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.77

Polar Surface Area:
88.89

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1077862

Name:
2-Cyano-1-[4-(1H-imidazol-4-yl)butyl]-3-methylguan
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Cas Number:
52378-57-1

Mol. Formula:
C10H16N6

M.W.:
220.28

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
0.38

Polar Surface Area:
88.89

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1079209

Name:
(R)-4'-(3-aminopyrrolidin-1-yl)-1,3,6',7'-tetrahyd
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Mol. Formula:
C20H25N5

M.W.:
335.45

2 activity values

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
81.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1078020

Name:
4'-(piperazin-1-yl)-1,3,6',7'-tetrahydro-5'H-spiro
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Mol. Formula:
C20H25N5

M.W.:
335.46

4 activity values

Type:
Small molecule

AlogP:
1.84

Polar Surface Area:
67.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1078019

Name:
4'-((4aR,7aR)-tetrahydro-1H-pyrrolo[3,4-b]pyridin-
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Mol. Formula:
C20H31N5

M.W.:
341.50

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
67.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA1078018

Name:
(R)-4'-(3-aminopyrrolidin-1-yl)-6',7'-dihydro-5'H-
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Mol. Formula:
C17H27N5

M.W.:
301.44

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
81.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1081683

Name:
4'-(piperazin-1-yl)-6',7'-dihydro-5'H-spiro[cycloh
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Mol. Formula:
C17H27N5

M.W.:
301.44

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
67.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1081682

Name:
4'-((3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-
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Mol. Formula:
C18H27N5

M.W.:
313.45

6 activity values

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
67.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1081681

Name:
(S)-4'-(3-aminopyrrolidin-1-yl)-6',7'-dihydro-5'H-
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Mol. Formula:
C16H25N5

M.W.:
287.41