HMEC
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ID: ALA614734
Type: CELL-LINE
Organism: Homo sapiens
Species Group: Homo sapiens
Name: HMEC
Description: HMEC (Microvascular endothelial cells)
Source tissue: Microvascular endothelial cells
Source Organism: Homo sapiens
Source Tax ID: 9606
Experimental Factor Ontology: EFO_0001188
Cell Ontology ID: CL_2000008
Name:
(4S,8S,11S,15S,18S,20R)-12,15-Diisobutyl-9-(1-methoxy-1H-indol-3-ylmethyl)-4,10,16,21-tetramethyl-3-(S)-methyl-6,18-bis-((R)-2-methyl-hexyl)-1-oxa-4,7,10,13,16,19-hexaaza-cyclohenicosane-2,5,8,11,14,17,20-heptaone
Mol. Formula:
C51H83N7O9
M.W.:
938.26
Type:
Small molecule
AlogP:
5.67
Polar Surface Area:
188.69
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.17
Name:
(3S,6S,9S,12S,15S,18S,21R)-12,15-Diisobutyl-9-(1-methoxy-1H-indol-3-ylmethyl)-3,4,10,16,21-pentamethyl-6,18-bis-((R)-2-methyl-hexyl)-1-oxa-4,7,10,13,16,19-hexaaza-cyclohenicosane-2,8,11,14,17,20-hexaone
Mol. Formula:
C51H85N7O8
M.W.:
924.28
Type:
Small molecule
AlogP:
6.14
Polar Surface Area:
171.62
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.16
Name:
(5S,8S,12S,15S,19S)-8,11-Diisobutyl-14-(1-methoxy-1H-indol-3-ylmethyl)-20-(S)-methyl-7,13,19-trimethyl-5,17-bis-((R)-2-methyl-hexyl)-1-oxa-4,7,10,13,16,19-hexaaza-cyclohenicosane-3,6,9,12,15,18-hexaone
Mol. Formula:
C50H83N7O8
M.W.:
910.25
Type:
Small molecule
AlogP:
5.75
Polar Surface Area:
171.62
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.18
Name:
(2R,5S,8S,11S,14S,17S,20S)-8,11-Diisobutyl-14-(1-methoxy-1H-indol-3-ylmethyl)-2,7,13,19,20-pentamethyl-5,17-bis-((R)-2-methyl-hexyl)-1-oxa-4,7,10,13,16,19-hexaaza-cyclohenicosane-3,6,9,12,15,18-hexaone
Mol. Formula:
C51H85N7O8
M.W.:
924.28
Type:
Small molecule
AlogP:
6.14
Polar Surface Area:
171.62
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.17
Name:
(5S,8S,12S,15S,19S)-8,11-Diisobutyl-14-(1-methoxy-1H-indol-3-ylmethyl)-2,7,13,19-tetramethyl-20-(S)-methyl-5,17-bis-((R)-2-methyl-hexyl)-1-oxa-4,7,10,13,16,19-hexaaza-cyclohenicosane-3,6,9,12,15,18-hexaone
Mol. Formula:
C51H85N7O8
M.W.:
924.28
Type:
Small molecule
AlogP:
6.14
Polar Surface Area:
171.62
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.17
Name:
(3S,6S,9S,12S,15R,18S,21S)-6,9-Diisobutyl-3-(1-methoxy-1H-indol-3-ylmethyl)-4,10,15,18,19-pentamethyl-12,21-bis-((R)-2-methyl-hexyl)-1,4,7,10,13,16,19heptaaza-cyclohenicosane-2,5,8,11,14,17-hexaone
Mol. Formula:
C51H86N8O7
M.W.:
923.30
Type:
Small molecule
AlogP:
5.71
Polar Surface Area:
174.42
HBA:
9
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.16
Name:
(E)-S-2-acetamidoethyl O-ethyl 4-hydroxystyrylphosphonothioate
Mol. Formula:
C14H20NO4PS
M.W.:
329.36
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
75.63
HBA:
5
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.56
Name:
(E)-S-2-acetamidoethyl O-ethyl 4-hydroxy-3-methoxystyrylphosphonothioate
Mol. Formula:
C15H22NO5PS
M.W.:
359.38
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
84.86
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.52
Name:
(E)-S-2-acetamidoethyl O-ethyl 4-hydroxy-3,5-dimethoxystyrylphosphonothioate
Mol. Formula:
C16H24NO6PS
M.W.:
389.41
Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
94.09
HBA:
7
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.47
Name:
(E)-S-2-acetamidoethyl-O-ethyl-2-(4-methoxyphenyl)-vinylphosphonate
Mol. Formula:
C15H22NO4PS
M.W.:
343.38
Type:
Small molecule
AlogP:
3.76
Polar Surface Area:
64.63
HBA:
5
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.55