General Information of the Compound
| Compound ID |
CP0386038
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3,4-dichlorophenyl)methyl]-2-[(3-methylsulfonyl-2-oxo-4-phenyl-1H-quinolin-6-yl)oxy]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20Cl2N2O5S
|
||||||||||||||||||
| Molecular Weight |
531.417
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1c(-c2ccccc2)c2cc(OCC(=O)NCc3ccc(Cl)c(Cl)c3)ccc2[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20Cl2N2O5S/c1-35(32,33)24-23(16-5-3-2-4-6-16)18-12-17(8-10-21(18)29-25(24)31)34-14-22(30)28-13-15-7-9-19(26)20(27)11-15/h2-12H,13-14H2,1H3,(H,28,30)(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXXRRLRAKARNBX-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b