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ALA5276585 Name:
3-(3-methyl-1-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-amido)Show More⌵
Mol. Formula:
C23H28N6O3
M.W.:
436.52
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.43
Polar Surface Area:
103.45
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5269145 Name:
methyl 2-{3-[4-(aminomethyl)-1-{6-fluoro-5H,6H,7H,8H,9H-pyrimido[4,5-b]indoShow More⌵
Mol. Formula:
C26H31FN6O3
M.W.:
494.57
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.68
Polar Surface Area:
126.23
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5268230 Name:
3-[(3R)-3-methyl-1-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-aShow More⌵
Mol. Formula:
C23H28N6O3
M.W.:
436.52
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.43
Polar Surface Area:
103.45
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3798412 Name:
methyl 2-(3-(4-(aminomethyl)-1-(6,6-difluoro-6,7,8,9-tetrahydro-5H-pyrimidoShow More⌵
Mol. Formula:
C26H30F2N6O3
M.W.:
512.56
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
126.23
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3799270 Name:
methyl 2-(3-(1-(6,6-difluoro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yShow More⌵
Mol. Formula:
C27H32F2N6O3
M.W.:
526.59
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
103.45
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3799932 Name:
(3-{[4-Aminomethyl-1-(5,6,7,8-tetrahydro-cyclopenta[4,5]pyrrolo[2,3-d]pyrimShow More⌵
Mol. Formula:
C25H30N6O3
M.W.:
462.55
Type:
Small molecule
AlogP:
2.35
Polar Surface Area:
126.23
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3800261 Name:
(3-{[4-Dimethylamino-1-(5,6,7,8-tetrahydro-cyclopenta[4,5]pyrrolo[2,3-d]pyrShow More⌵
Mol. Formula:
C26H32N6O3
M.W.:
476.58
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
103.45
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3798651 Name:
methyl 2-(3-(4-(aminomethyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-Show More⌵
Mol. Formula:
C26H32N6O3
M.W.:
476.58
Type:
Small molecule
AlogP:
2.74
Polar Surface Area:
126.23
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3797937 Name:
methyl 3-(4-(aminomethyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yShow More⌵
Mol. Formula:
C25H30N6O3
M.W.:
462.55
Type:
Small molecule
AlogP:
2.81
Polar Surface Area:
126.23
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3797658 Name:
3-(1-(6,6-difluoro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)-4-(dimeShow More⌵
Mol. Formula:
C27H33F2N7O3
M.W.:
541.60
Type:
Small molecule
AlogP:
3.68
Polar Surface Area:
106.69
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3797634 Name:
Dimethyl-carbamic acid 3-{[4-dimethylamino-1-(5,6,7,8-tetrahydro-cyclopentaShow More⌵
Mol. Formula:
C26H33N7O3
M.W.:
491.60
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
106.69
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA3799318 Name:
N-(3-(1,2,4-oxadiazol-5-yl)phenyl)-4-(dimethylamino)-1-(6,7,8,9-tetrahydro-Show More⌵
Mol. Formula:
C26H30N8O2
M.W.:
486.58
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
116.07
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3798275 Name:
N-(3-(1H-1,2,4-triazol-1-yl)phenyl)-4-(dimethylamino)-1-(6,7,8,9-tetrahydroShow More⌵
Mol. Formula:
C26H31N9O
M.W.:
485.60
Type:
Small molecule
AlogP:
2.96
Polar Surface Area:
107.86
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3799695 Name:
4-(dimethylamino)-N-(3-(oxazol-5-yl)phenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimiShow More⌵
Mol. Formula:
C27H31N7O2
M.W.:
485.59
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
103.18
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3798270 Name:
N-(3-(1H-pyrazol-3-yl)phenyl)-4-(dimethylamino)-1-(6,7,8,9-tetrahydro-5H-pyShow More⌵
Mol. Formula:
C27H32N8O
M.W.:
484.61
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
105.83
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3799358 Name:
N-(3-(1H-imidazol-1-yl)phenyl)-4-(dimethylamino)-1-(6,7,8,9-tetrahydro-5H-pShow More⌵
Mol. Formula:
C27H32N8O
M.W.:
484.61
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
94.97
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3800357 Name:
4-(dimethylamino)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)-N-(3-Show More⌵
Mol. Formula:
C28H32N6OS
M.W.:
500.67
Type:
Small molecule
AlogP:
5.10
Polar Surface Area:
77.15
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3799925 Name:
4-(dimethylamino)-N-(3-(furan-2-yl)phenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimidShow More⌵
Mol. Formula:
C28H32N6O2
M.W.:
484.60
Type:
Small molecule
AlogP:
4.64
Polar Surface Area:
90.29
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3798662 Name:
N-(3-(1H-pyrrol-1-yl)phenyl)-4-(dimethylamino)-1-(6,7,8,9-tetrahydro-5H-pyrShow More⌵
Mol. Formula:
C28H33N7O
M.W.:
483.62
Type:
Small molecule
AlogP:
4.17
Polar Surface Area:
82.08
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3798361 Name:
4-(dimethylamino)-N-(3-(pyridin-4-yl)phenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimShow More⌵
Mol. Formula:
C29H33N7O
M.W.:
495.63
Type:
Small molecule
AlogP:
4.44
Polar Surface Area:
90.04
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
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