EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H19FN5O2 |
| Net Charge | +1 |
| Average Mass | 344.370 |
| Monoisotopic Mass | 344.15173 |
| SMILES | CCOC(=O)N1CCN(c2[nH+]cnc3c2nc2ccc(F)cc23)CC1 |
| InChI | InChI=1S/C17H18FN5O2/c1-2-25-17(24)23-7-5-22(6-8-23)16-15-14(19-10-20-16)12-9-11(18)3-4-13(12)21-15/h3-4,9-10,21H,2,5-8H2,1H3/p+1 |
| InChIKey | VRAMQXNVVSJLFN-UHFFFAOYSA-O |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-28056 (CHEBI:116601) is a N-arylpiperazine (CHEBI:46848) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28056 | LINCS |