Compounds

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA2271671

Name:
(R)-6-chloro-N2-ethyl-N4-(1-phenylethyl)-1,3,5-tri
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Mol. Formula:
C13H16ClN5

M.W.:
277.76

6 activity values

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2271670

Name:
(S)-6-chloro-N2-methyl-N4-(1-phenylethyl)-1,3,5-tr
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Mol. Formula:
C12H14ClN5

M.W.:
263.73

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA2271669

Name:
(R)-6-chloro-N2-(1-phenylethyl)-N4-propyl-1,3,5-tr
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Mol. Formula:
C14H18ClN5

M.W.:
291.79

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2271668

Name:
(S)-6-chloro-N2-ethyl-N4-(1-phenylethyl)-1,3,5-tri
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Cas Number:
109905-69-3

Mol. Formula:
C13H16ClN5

M.W.:
277.76

5 activity values

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2271667

Name:
(S)-6-chloro-N2-(1-phenylethyl)-N4-propyl-1,3,5-tr
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Mol. Formula:
C14H18ClN5

M.W.:
291.79

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2271666

Name:
(S)-6-chloro-N2-isopropyl-N4-(1-phenylethyl)-1,3,5
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Mol. Formula:
C14H18ClN5

M.W.:
291.79

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2271665

Name:
(R)-6-chloro-N2-isopropyl-N4-(1-phenylethyl)-1,3,5
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Mol. Formula:
C14H18ClN5

M.W.:
291.79

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2271664

Name:
(S)-N2-butyl-6-chloro-N4-(1-phenylethyl)-1,3,5-tri
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Mol. Formula:
C15H20ClN5

M.W.:
305.81

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2271663

Name:
(R)-N2-butyl-6-chloro-N4-(1-phenylethyl)-1,3,5-tri
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Mol. Formula:
C15H20ClN5

M.W.:
305.81

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2271662

Name:
N-((R)-sec-Butyl)-6-chloro-N'-((S)-1-phenyl-ethyl)
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Mol. Formula:
C15H20ClN5

M.W.:
305.81

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2271661

Name:
N-((R)-sec-Butyl)-6-chloro-N'-((R)-1-phenyl-ethyl)
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Mol. Formula:
C15H20ClN5

M.W.:
305.81

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2271660

Name:
(S)-N2-sec-butyl-6-chloro-N4-((S)-1-phenylethyl)-1
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Mol. Formula:
C15H20ClN5

M.W.:
305.81

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2271659

Name:
(S)-N2-sec-butyl-6-chloro-N4-((R)-1-phenylethyl)-1
Show More⌵

Mol. Formula:
C15H20ClN5

M.W.:
305.81

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2271658

Name:
(S)-N2-tert-butyl-6-chloro-N4-(1-phenylethyl)-1,3,
Show More⌵

Mol. Formula:
C15H20ClN5

M.W.:
305.81

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2271657

Name:
(R)-N2-tert-butyl-6-chloro-N4-(1-phenylethyl)-1,3,
Show More⌵

Mol. Formula:
C15H20ClN5

M.W.:
305.81

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA2271656

Name:
(R)-6-chloro-N2-(pentan-3-yl)-N4-(1-phenylethyl)-1
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Mol. Formula:
C16H22ClN5

M.W.:
319.84

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2271655

Name:
(S)-6-chloro-N2-(pentan-3-yl)-N4-(1-phenylethyl)-1
Show More⌵

Mol. Formula:
C16H22ClN5

M.W.:
319.84

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2271654

Name:
(S)-6-chloro-N2,N2-diethyl-N4-(1-phenylethyl)-1,3,
Show More⌵

Mol. Formula:
C15H20ClN5

M.W.:
305.81

5 activity values

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2271653

Name:
(R)-6-chloro-N2,N2-diethyl-N4-(1-phenylethyl)-1,3,
Show More⌵

Mol. Formula:
C15H20ClN5

M.W.:
305.81

5 activity values