General Information of the Compound
| Compound ID |
CP0424402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-furan-2-yl-10-methyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H10N4O2
|
||||||||||||||||||
| Molecular Weight |
266.26
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2ccccc2n2c1nnc(-c1ccco1)c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H10N4O2/c1-17-9-5-2-3-6-10(9)18-13(19)12(15-16-14(17)18)11-7-4-8-20-11/h2-8H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMLKSXNUABFTEI-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