EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H25N5O2 |
| Net Charge | 0 |
| Average Mass | 463.541 |
| Monoisotopic Mass | 463.20083 |
| SMILES | Cc1nnc(=O)c1C(c1c(C)nnc1=O)c1cn(Cc2cccc3ccccc23)c2ccccc12 |
| InChI | InChI=1S/C28H25N5O2/c1-16-24(27(34)31-29-16)26(25-17(2)30-32-28(25)35)22-15-33(23-13-6-5-12-21(22)23)14-19-10-7-9-18-8-3-4-11-20(18)19/h3-13,15,26H,14H2,1-2H3,(H2,29,31,34)(H2,30,32,35) |
| InChIKey | IEDDUUCBRAGPHC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[1-(1-naphthalenylmethyl)-3-indolyl]methyl]-1,2-dihydropyrazol-3-one (CHEBI:107349) is a naphthalenes (CHEBI:25477) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18703 | LINCS |