General Information of the Compound
| Compound ID |
CP0376622
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[(quinolin-2-yl)amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15N9O2
|
||||||||||||||||||
| Molecular Weight |
425.412
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc2c(n1)nc(NC(=O)Nc1ccc3ccccc3n1)n1nc(nc21)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15N9O2/c1-29-11-13-17(27-29)25-20(30-19(13)24-18(28-30)15-7-4-10-32-15)26-21(31)23-16-9-8-12-5-2-3-6-14(12)22-16/h2-11H,1H3,(H2,22,23,25,26,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GOHBLZKJZRMREF-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