ID: ALA613503
Type: CELL-LINE
Organism: Homo sapiens
Species Group: Homo sapiens
Name: A2058
Description: A2058 (Melanoma cells)
Source tissue: Melanoma cells
Source Organism: Homo sapiens
Source Tax ID: 9606
Cell Line Ontology: CLO_0001566
Experimental Factor Ontology: EFO_0006361
Cellosaurus: CVCL_1059
LiNCS Project: LCL-1237
Name:
(11aS)-8-[3-(1H-2-indolycarboxamido)]pentoxyl-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
Mol. Formula:
C27H30N4O4
M.W.:
474.56
Type:
Small molecule
AlogP:
4.48
Polar Surface Area:
96.02
HBA:
5
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.45
Name:
2-Amino-4-{4-chloro-2-[2-(4-fluoropyrazol-1-yl)ethoxy]-6-methylphenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid(2,2-Difluoropropyl)amide
Mol. Formula:
C22H23ClF3N7O2
M.W.:
509.92
Type:
Small molecule
AlogP:
3.78
Polar Surface Area:
111.19
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
Name:
diethyl 2-(2-oxopropyl)-1H-benzo[d]imidazole-1,3(2H)-dicarboxylate
Mol. Formula:
C16H20N2O5
M.W.:
320.35
Type:
Small molecule
AlogP:
2.93
Polar Surface Area:
76.15
HBA:
5
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.85
Name:
diethyl 5,6-dimethyl-2-(2-oxopropyl)-1H-benzo[d]imidazole-1,3(2H)-dicarboxylate
Mol. Formula:
C18H24N2O5
M.W.:
348.40
Type:
Small molecule
AlogP:
3.55
Polar Surface Area:
76.15
HBA:
5
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
Name:
2-(2-oxo-2-phenylethyl)-2,3-dihydro-benzoimidazole-1,3-dicarboxylic acid diethyl ester
Mol. Formula:
C21H22N2O5
M.W.:
382.42
Type:
Small molecule
AlogP:
4.23
Polar Surface Area:
76.15
HBA:
5
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
Name:
2-(2-oxo-2-phenylethyl)-5,6-dimethyl-2,3-dihydro-benzoimidazole-1,3-dicarboxylic acid diethyl ester
Mol. Formula:
C23H26N2O5
M.W.:
410.47
Type:
Small molecule
AlogP:
4.84
Polar Surface Area:
76.15
HBA:
5
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
Name:
2-(2-(4-hydroxyphenyl)-2-oxoethyl)-2,3-dihydro-benzoimidazole-1,3(2H)-dicarboxylic acid diethyl ester
Mol. Formula:
C21H22N2O6
M.W.:
398.42
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
96.38
HBA:
6
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
Name:
2-(2-(4-methoxyphenyl)-2-oxoethyl)-5,6-dimethyl-2,3-dihydro-benzoimidazole-1,3-dicarboxylic acid diethyl ester
Mol. Formula:
C24H28N2O6
M.W.:
440.50
Type:
Small molecule
AlogP:
4.85
Polar Surface Area:
85.38
HBA:
6
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
Name:
2-(2-oxo-3-phenylpropyl)-2,3-dihydro-benzoimidazole-1,3-dicarboxylic acid diethyl ester
Mol. Formula:
C22H24N2O5
M.W.:
396.44
Type:
Small molecule
AlogP:
4.15
Polar Surface Area:
76.15
HBA:
5
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.73
Name:
5,6-dimethyl-2-(2-oxo-4-phenylbut-3-enyl)-2,3-dihydro-benzoimidazole-1,3-dicarboxylic acid diethyl ester
Mol. Formula:
C25H28N2O5
M.W.:
436.51
Type:
Small molecule
AlogP:
5.24
Polar Surface Area:
76.15
HBA:
5
HBD:
0
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58