EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H27N5O3 |
| Net Charge | 0 |
| Average Mass | 445.523 |
| Monoisotopic Mass | 445.21139 |
| SMILES | COc1ccc(-c2nc(CN3CCN(c4ncnc5ccccc45)CC3)c(C)o2)c(OC)c1 |
| InChI | InChI=1S/C25H27N5O3/c1-17-22(28-25(33-17)20-9-8-18(31-2)14-23(20)32-3)15-29-10-12-30(13-11-29)24-19-6-4-5-7-21(19)26-16-27-24/h4-9,14,16H,10-13,15H2,1-3H3 |
| InChIKey | ZFZWTCOXZVMVOQ-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) |
| 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[4-(4-quinazolinyl)-1-piperazinyl]methyl]oxazole (CHEBI:108576) is a N-arylpiperazine (CHEBI:46848) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19950 | LINCS |