EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H22N6O3 |
| Net Charge | 0 |
| Average Mass | 454.490 |
| Monoisotopic Mass | 454.17534 |
| SMILES | Cc1cc(NN=C2C(=O)Nc3ccccc3C2=O)ccc1N=Nc1ccc(C(=O)N(C)C)cc1 |
| InChI | InChI=1S/C25H22N6O3/c1-15-14-18(28-30-22-23(32)19-6-4-5-7-21(19)26-24(22)33)12-13-20(15)29-27-17-10-8-16(9-11-17)25(34)31(2)3/h4-14,28H,1-3H3,(H,26,33) |
| InChIKey | XPUQWYPYORUGFW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[4-[2-(2,4-dioxo-1H-quinolin-3-ylidene)hydrazinyl]-2-methylphenyl]azo-N,N-dimethylbenzamide (CHEBI:109844) is a azobenzenes (CHEBI:22682) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21272 | LINCS |