General Information of the Compound
| Compound ID |
CP0391521
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-[[8-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20N6O6
|
||||||||||||||||||
| Molecular Weight |
416.394
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)CNC(=O)c1cnc(NCC(=O)OCC)n2nc(nc12)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N6O6/c1-3-28-13(25)9-19-17(27)11-8-20-18(21-10-14(26)29-4-2)24-16(11)22-15(23-24)12-6-5-7-30-12/h5-8H,3-4,9-10H2,1-2H3,(H,19,27)(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CBZSAPYLOYGFIZ-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
Protein ID: PT01279, Adenosine receptor A3