BXPC-3
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ID: ALA614530
Type: CELL-LINE
Organism: Homo sapiens
Species Group: Homo sapiens
Name: BXPC-3
Description: BXPC-3 (Pancreatic adenocarcinoma cells)
Source tissue: Pancreatic adenocarcinoma cells
Source Organism: Homo sapiens
Source Tax ID: 9606
Cell Line Ontology: CLO_0002065
Experimental Factor Ontology: EFO_0002709
Cellosaurus: CVCL_0186
LiNCS Project: LCL-1731
Name:
(8-Hydroxymethyl-1,7-dioxa-spiro[5.5]undec-2-yl)-methanol
Mol. Formula:
C11H20O4
M.W.:
216.28
Type:
Small molecule
AlogP:
0.81
Polar Surface Area:
58.92
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
Name:
Acetic acid 10-hydroxy-2-(2-hydroxy-ethyl)-8-hydroxymethyl-10-methyl-1,7-dioxa-spiro[5.5]undec-4-yl ester
Mol. Formula:
C15H26O7
M.W.:
318.37
Type:
Small molecule
AlogP:
0.10
Polar Surface Area:
105.45
HBA:
7
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
Name:
1-[4-(5-Bromo-pyrimidin-2-yloxy)-3-methyl-phenyl]-3-(2-methylamino-benzoyl)-urea
Mol. Formula:
C20H18BrN5O3
M.W.:
456.30
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
105.24
HBA:
6
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
Name:
(E)-(S)-2-((2R,3R,4S,5R,6S)-3,4,5-Tris-benzyloxy-6-methoxy-tetrahydro-pyran-2-ylmethyl)-octa-1,5,7-trien-4-ol
Mol. Formula:
C36H42O6
M.W.:
570.73
Type:
Small molecule
AlogP:
6.55
Polar Surface Area:
66.38
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.16
Name:
(E)-(S)-7-Chloro-2-((2R,3R,4S,5R,6S)-3,4,5-tris-benzyloxy-6-methoxy-tetrahydro-pyran-2-ylmethyl)-octa-1,5,7-trien-4-ol
Mol. Formula:
C36H41ClO6
M.W.:
605.17
Type:
Small molecule
AlogP:
7.12
Polar Surface Area:
66.38
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.14
Name:
acetic acid (2S,3R,4S,4aR)-2,3,4-triacetoxy-6-oxo-2,3,4,4a,5,6-hexahydro-[1,3]dioxolo[4,5-j]phenanthridin-7-yl ester
Mol. Formula:
C22H21NO11
M.W.:
475.41
Type:
Small molecule
AlogP:
0.64
Polar Surface Area:
152.76
HBA:
11
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
Name:
10b(R)-hydroxy-2,3,4,7-tetra-O-acetylnarciclasine
Mol. Formula:
C22H23NO13
M.W.:
509.42
Type:
Small molecule
AlogP:
-1.19
Polar Surface Area:
193.22
HBA:
13
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.25