General Information of the Compound
| Compound ID |
CP0386798
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(furan-2-yl)-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20N6O5
|
||||||||||||||||||
| Molecular Weight |
388.384
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)NCCNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20N6O5/c1-17(2,3)28-16(26)19-7-6-18-15-20-9-10(14(24)25)13-21-12(22-23(13)15)11-5-4-8-27-11/h4-5,8-9H,6-7H2,1-3H3,(H,18,20)(H,19,26)(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BGRXOIKLKVIKNN-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