EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C42H36N4O5 |
| Net Charge | 0 |
| Average Mass | 676.773 |
| Monoisotopic Mass | 676.26857 |
| SMILES | NC(=O)[C@H]1CC2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)CN1C(=O)c1ccccc1C(=O)c1ccccc1 |
| InChI | InChI=1S/C42H36N4O5/c43-40(49)37-26-42(27-46(37)41(50)34-22-11-10-21-33(34)39(48)30-17-8-3-9-18-30)25-36(45-51-42)31-19-12-20-32(23-31)44-38(47)24-35(28-13-4-1-5-14-28)29-15-6-2-7-16-29/h1-23,35,37H,24-27H2,(H2,43,49)(H,44,47)/t37-,42?/m1/s1 |
| InChIKey | CHVGRSKBLXRBHR-SZUYGLCUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (8R)-7-[(2-benzoylphenyl)-oxomethyl]-3-[3-[(1-oxo-3,3-diphenylpropyl)amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (CHEBI:114586) is a benzophenones (CHEBI:22726) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26048 | LINCS |