General Information of the Compound
| Compound ID |
CP0069173
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-(Furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-7H-pyrazolo-[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
2-(Furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
316173-57-6
AC-27414
AJ-23684
AKOS016003924
ANW-62570
BCP01942
BDBM50094037
CHEBI:92814
CHEMBL136689
CTK8B9468
DTXSID70443263
GTPL3283
HMS3269G07
MFCD08703126
MolPort-023-276-442
NCGC00159575-01
SCH 442416
SCH-442,416
SCH-442416
SCH442,416
SCH442416
SCHEMBL981184
UNII-ZMC4G1W59S
ZINC602847
ZMC4G1W59S
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N7O2
|
||||||||||||||||||
| Molecular Weight |
389.419
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AEULVFLPCJOBCE-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
Clinical Information about the Compound