Compounds

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
68.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA555665

Name:
4-((R)-1-Amino-butyl)-cyclohexanecarboxylic acid p
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Mol. Formula:
C16H27Cl2N3O

M.W.:
348.32

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
68.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA537850

Name:
4-((R)-1-Amino-nonyl)-cyclohexanecarboxylic acid p
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Mol. Formula:
C21H37Cl2N3O

M.W.:
418.45

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
68.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA536267

Name:
4-((R)-1-Amino-ethyl)-cyclohexanecarboxylic acid p
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Mol. Formula:
C14H23Cl2N3O

M.W.:
320.26

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
68.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA556558

Name:
4-((S)-1-Amino-butyl)-cyclohexanecarboxylic acid p
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Mol. Formula:
C16H27Cl2N3O

M.W.:
348.32

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
68.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA375556

Name:
N-[1-(4-chlorobenzyl)-3-pyrrolidyl]-N-(5-isoquinol
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Cas Number:
675133-00-3

Mol. Formula:
C20H20ClN3

M.W.:
337.85

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA223815

Name:
N-[1-(3-chlorobenzyl)-3-pyrrolidyl]-N-(5-isoquinol
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Cas Number:
675132-99-7

Mol. Formula:
C20H20ClN3

M.W.:
337.85

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA389926

Name:
N-[1-(2-chlorobenzyl)-3-pyrrolidyl]-N-(5-isoquinol
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Cas Number:
675132-98-6

Mol. Formula:
C20H20ClN3

M.W.:
337.85

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA225492

Name:
N-[1-(4-chlorobenzyl)-3-piperidyl]-N-(5-isoquinoly
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Cas Number:
675133-20-7

Mol. Formula:
C21H22ClN3

M.W.:
351.88

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA389254

Name:
N-[1-(3-chlorobenzyl)-3-piperidyl]-N-(5-isoquinoly
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Cas Number:
675133-19-4

Mol. Formula:
C21H22ClN3

M.W.:
351.88

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA224508

Name:
N-[1-(2-chlorobenzyl)-3-piperidyl]-N-(5-isoquinoly
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Cas Number:
675133-18-3

Mol. Formula:
C21H22ClN3

M.W.:
351.88

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA375736

Name:
N-(1-isopentyl-3-pyrrolidyl)-N-(5-isoquinolyl)amin
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Mol. Formula:
C19H27N3

M.W.:
297.45

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA224417

Name:
N1-phenylethyl-N4-(5-isoquinolyl)-1,4-cyclohexaned
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Mol. Formula:
C23H27N3

M.W.:
345.49

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
36.95

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA224362

Name:
N1-phenylethyl-N4-(5-isoquinolyl)-1,4-cyclohexaned
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Mol. Formula:
C23H27N3

M.W.:
345.49

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
36.95

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA375735

Name:
N1-cyclopropyl-N4-(5-isoquinolyl)-1,4-cyclohexaned
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Mol. Formula:
C18H23N3

M.W.:
281.40

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
36.95

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA224361

Name:
N1-cyclopropyl-N4-(5-isoquinolyl)-1,4-cyclohexaned
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Cas Number:
919120-69-7

Mol. Formula:
C18H23N3

M.W.:
281.40

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
36.95

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA224360

Name:
N1-propyl-N4-(5-isoquinolyl)-1,4-cyclohexanediamin
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Mol. Formula:
C18H25N3

M.W.:
283.42