General Information of the Compound
| Compound ID |
CP0447991
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Phenyl-5-propyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H14N6
|
||||||||||||||||||
| Molecular Weight |
278.319
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H14N6/c1-2-6-12-17-14-11(9-16-19-14)15-18-13(20-21(12)15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KOSSEJPYQJHMFH-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