EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H26N4O3 |
| Net Charge | 0 |
| Average Mass | 466.541 |
| Monoisotopic Mass | 466.20049 |
| SMILES | O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)CC32)C(=O)N1Cc1ccccc1 |
| InChI | InChI=1S/C28H26N4O3/c33-25-28(26(34)32(27(35)29-25)18-20-9-3-1-4-10-20)17-21-11-7-8-14-23(21)31-16-15-30(19-24(28)31)22-12-5-2-6-13-22/h1-14,24H,15-19H2,(H,29,33,35)/t24?,28-/m1/s1 |
| InChIKey | BEXWSKNRHHXTRK-ITCMONMYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (5R)-3'-phenyl-1-(phenylmethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CHEBI:121533) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32976 | LINCS |