Compounds

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
56.79

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3110094

Name:
5-ethyl-3-(4'-propoxybiphenyl-4-yl)-1,2,4-oxadiazo
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Mol. Formula:
C19H20N2O2

M.W.:
308.38

7 activity values

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
48.15

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1958374

Name:
2'-tert-butyl-1-(2,4-dimethyl-1H-benzo[d]imidazole
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Mol. Formula:
C24H29N5O3

M.W.:
435.53

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1958373

Name:
2'-tert-butyl-1-(4-methyl-1H-benzo[d]imidazole-6-c
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Mol. Formula:
C23H27N5O3

M.W.:
421.50

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1958372

Name:
3'-Methyl-1-(3,7-dimethyl-1H-indazole-5-carbonyl)-
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Mol. Formula:
C25H29N5O4

M.W.:
463.54

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
102.34

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1958371

Name:
1-(3,7-Dimethyl-1H-indazole-5-carbonyl)-2-isopropy
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Mol. Formula:
C23H27N5O3

M.W.:
421.50

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1958370

Name:
1-(2,4-Dimethyl-1H-benzo[d]imidazole-6-carbonyl)-2
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Mol. Formula:
C23H27N5O3

M.W.:
421.50

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1958369

Name:
2'-Ethyl-3'-methyl-1-(4-methyl-1H-benzo[d]imidazol
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Mol. Formula:
C22H25N5O3

M.W.:
407.47

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1958368

Name:
1-(3,7-Dimethyl-1H-indole-5-carbonyl)-2'-ethyl-3'-
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Mol. Formula:
C24H28N4O3

M.W.:
420.51

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
80.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1958367

Name:
2'-Ethyl-1-(1H-indazole-5-carbonyl)-3'-methyl-2'H-
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Mol. Formula:
C21H23N5O3

M.W.:
393.45

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1958366

Name:
1-(7-Ethoxy-3-ethyl-1H-indazole-5-carbonyl)-2'-eth
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Mol. Formula:
C25H31N5O4

M.W.:
465.55

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
102.34

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1958365

Name:
1-(7-Ethoxy-3-methyl-1H-indazole-5-carbonyl)-2'-et
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Mol. Formula:
C24H29N5O4

M.W.:
451.53

Type:
Small molecule

AlogP:
3.44

Polar Surface Area:
102.34

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1958364

Name:
2'-Ethyl-3'-methyl-1-(7-ethyl-1H-indazole-5-carbon
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Mol. Formula:
C23H27N5O3

M.W.:
421.50

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1958363

Name:
2'-Ethyl-3'-methyl-1-(3-ethyl-1H-indazole-5-carbon
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Mol. Formula:
C23H27N5O3

M.W.:
421.50

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1958362

Name:
1-(3,7-Dimethyl-1H-indazole-5-carbonyl)-2'-ethyl-3
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Mol. Formula:
C23H27N5O3

M.W.:
421.50

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1958361

Name:
2'-Ethyl-3'-methyl-1-(3-methyl-1H-indazole-5-carbo
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Mol. Formula:
C22H25N5O3

M.W.:
407.47

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA1958360

Name:
2'-(tert-Butyl)-1-(7-methyl-1H-indazole-5-carbonyl
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Mol. Formula:
C23H27N5O3

M.W.:
421.50

9 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1955891

Name:
2'-Cyclohexyl-1-(7-methyl-1H-indazole-5-carbonyl)-
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Mol. Formula:
C25H29N5O3

M.W.:
447.54

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1958359

Name:
2'-Cyclopentyl-1-(7-methyl-1H-indazole-5-carbonyl)
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Mol. Formula:
C24H27N5O3

M.W.:
433.51

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
93.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1958358

Name:
2'-Cyclobutyl-1-(7-methyl-1H-indazole-5-carbonyl)-
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Mol. Formula:
C23H25N5O3

M.W.:
419.49