EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H21F3N8O |
| Net Charge | 0 |
| Average Mass | 446.437 |
| Monoisotopic Mass | 446.17904 |
| SMILES | CCc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1 |
| InChI | InChI=1S/C20H21F3N8O/c1-2-12-18(25-11-16(28-12)20(21,22)23)29-13-5-3-6-14(13)30-19(32)17-15(7-4-8-24-17)31-26-9-10-27-31/h4,7-11,13-14H,2-3,5-6H2,1H3,(H,25,29)(H,30,32)/t13-,14-/m0/s1 |
| InChIKey | UFGCLPDMIZHEED-KBPBESRZSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cvn-766 (CHEBI:756009) is a aromatic carboxylic acid (CHEBI:33859) |
| cvn-766 (CHEBI:756009) is a pyridinemonocarboxylic acid (CHEBI:26420) |
| Synonyms | Source |
|---|---|
| Cvn-766 | ChEMBL |
| Cvn766 | ChEMBL |
| Citations |
|---|