NCI-H929
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ID: ALA4296391
Type: CELL-LINE
Organism: Homo sapiens
Species Group: Homo sapiens
Name: NCI-H929
Description: NCI-H929
Source tissue: Plasma cell myeloma
Source Organism: Homo sapiens
Source Tax ID: 9606
Cell Line Ontology: CLO_0008127
Experimental Factor Ontology: EFO_0001221
Cellosaurus: CVCL_1600
Name:
4-(4-Amino-5-(2-nitrobenzoyl)thiazol-2-ylamino)-benzenesulfonamide
Mol. Formula:
C16H13N5O5S2
M.W.:
419.44
Type:
Small molecule
AlogP:
2.26
Polar Surface Area:
171.31
HBA:
9
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
Name:
(2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-([2-(pyridin-4-yl)pyrimidin-4-yl]methoxy)phenyl)propanoic acid
Mol. Formula:
C43H39ClFN7O6S
M.W.:
836.35
Type:
Unknown
AlogP:
7.85
Polar Surface Area:
149.06
HBA:
13
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.11
Name:
(2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-phenylpropanoic acid
Mol. Formula:
C33H33ClN4O4S2
M.W.:
649.24
Type:
Unknown
AlogP:
6.75
Polar Surface Area:
88.02
HBA:
9
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.17
Name:
(2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-[(2-methoxypyrimidin-4-yl)methoxy]phenyl)propanoic acid
Mol. Formula:
C39H38ClFN6O7S
M.W.:
789.29
Type:
Unknown
AlogP:
6.80
Polar Surface Area:
145.40
HBA:
13
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.12
Name:
(2R)-2-([6-(5-Bromofuran-2-yl)-(5Sa)-5-(3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-methoxyphenyl)propanoic acid
Mol. Formula:
C34H34BrClN4O6S
M.W.:
742.09
Type:
Unknown
AlogP:
7.05
Polar Surface Area:
110.39
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.14
Name:
(2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-[(1-methyl-1H-pyrazol-5-yl)methoxy]phenyl)propanoic acid
Mol. Formula:
C40H40ClFN6O5S
M.W.:
771.31
Type:
Unknown
AlogP:
7.14
Polar Surface Area:
115.07
HBA:
11
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.12
Name:
(2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-methoxyphenyl)propanoic acid
Mol. Formula:
C36H36ClFN4O5S
M.W.:
691.23
Type:
Unknown
AlogP:
6.84
Polar Surface Area:
97.25
HBA:
9
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.15
Name:
(2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-([2-(5-methoxy-2-methylpyridin-4-yl)pyrimidin-4-yl]methoxy)phenyl)propanoic acid
Mol. Formula:
C47H45ClFN7O6S
M.W.:
890.44
Type:
Unknown
AlogP:
8.58
Polar Surface Area:
145.15
HBA:
13
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.10
Name:
(2R)-2-([(5Sa)-5-(3-Chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl)-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy)-3-(2-methoxyphenyl)propanoic acid
Mol. Formula:
C34H34ClFN4O6S
M.W.:
681.19
Type:
Unknown
AlogP:
6.43
Polar Surface Area:
110.39
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.16