EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H21FN6O |
| Net Charge | 0 |
| Average Mass | 392.438 |
| Monoisotopic Mass | 392.17609 |
| SMILES | CN1CCN(c2ccc3c(c2)NC(=C2C(=O)N=c4cccc(F)c4=C2N)N3)CC1 |
| InChI | InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,24-25H,7-10,23H2,1H3 |
| InChIKey | KCOYQXZDFIIGCY-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-quinolinone (CHEBI:91395) is a N-arylpiperazine (CHEBI:46848) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1127 | LINCS |