General Information of the Compound
| Compound ID |
CP0439986
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N8O2
|
||||||||||||||||||
| Molecular Weight |
370.417
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)C(=O)N1CCN(CC1)c1nc(N)n2nc(nc2n1)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N8O2/c1-17(2,3)13(26)23-6-8-24(9-7-23)15-20-14(18)25-16(21-15)19-12(22-25)11-5-4-10-27-11/h4-5,10H,6-9H2,1-3H3,(H2,18,19,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LWXRSALYPIBTRY-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b