The Biofilms Structural Database
|
|
The Biofilms Structural Database |
Pyridin Agonist |
|
|---|---|
7NBW |
|
Code
U7Q | |
|
Name |
~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine |
|
Molecular Weight |
294.25 |
|
Isomeric SMILES |
c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F |
|
Formula |
C15H10F4N2 |
|
Identifiers |
~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C15H10F4N2/c16-12-5-3-11(4-6-12)2-1-8-20-13-7-9-21-14(10-13)15(17,18)19/h3-7,9-10H,8H2,(H,20,21) |
|
Atom Count |
31 |
|
InChIKey |
LOCKKGFITVJYKW-UHFFFAOYSA-N |
|
PDB codes |
7NBW |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
32 |
|
Aromatic Bond Count |
12 |
|
Leaving Atoms |
n/a |