General Information of the Compound
| Compound ID |
CP0016654
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H11BrN4O2
|
||||||||||||||||||
| Molecular Weight |
347.172
|
||||||||||||||||||
| Canonical SMILES |
Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H11BrN4O2/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVYKLTFFLMMUEN-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