General Information of the Compound
| Compound ID |
CP0459179
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]tetrazol-5-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H10Cl2F3N5O
|
||||||||||||||||||
| Molecular Weight |
404.179
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(CNc2nnnn2-c2cccc(Cl)c2Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H10Cl2F3N5O/c16-11-2-1-3-12(13(11)17)25-14(22-23-24-25)21-8-9-4-6-10(7-5-9)26-15(18,19)20/h1-7H,8H2,(H,21,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVOXXCLEAJWRCU-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