General Information of the Compound
| Compound ID |
CP0403803
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-pyrazin-2-yl-6,7-dihydrotriazolo[4,5-c]pyridin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H12ClF3N6O
|
||||||||||||||||||
| Molecular Weight |
408.771
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(CN2CCc3c(nnn3-c3cnccn3)C2=O)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H12ClF3N6O/c18-14-10(2-1-3-11(14)17(19,20)21)9-26-7-4-12-15(16(26)28)24-25-27(12)13-8-22-5-6-23-13/h1-3,5-6,8H,4,7,9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MBJZMFALJKMUMO-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7