General Information of the Compound
| Compound ID |
CP0480975
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-(4-Methyl-piperazin-1-ylmethyl)-furan-2-yl]-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N9O
|
||||||||||||||||||
| Molecular Weight |
457.542
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2ccc(o2)-c2nc3c4cnn(CCc5ccccc5)c4nc(N)n3n2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N9O/c1-30-11-13-31(14-12-30)16-18-7-8-20(34-18)21-27-23-19-15-26-32(10-9-17-5-3-2-4-6-17)22(19)28-24(25)33(23)29-21/h2-8,15H,9-14,16H2,1H3,(H2,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMZHGYVDAKKQIT-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