General Information of the Compound
| Compound ID |
CP0504871
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3-ethyl-5-methylimidazol-4-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19ClF3N3O
|
||||||||||||||||||
| Molecular Weight |
421.85
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(CC(=O)NCc2ccc(F)cc2Cl)c(C)nc1-c1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19ClF3N3O/c1-3-28-19(10-20(29)26-11-13-4-5-14(23)8-17(13)22)12(2)27-21(28)16-7-6-15(24)9-18(16)25/h4-9H,3,10-11H2,1-2H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBBLFPVYNGTOEN-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