EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H26N4O3 |
| Net Charge | 0 |
| Average Mass | 430.508 |
| Monoisotopic Mass | 430.20049 |
| SMILES | CCN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)Nc1ccccc1 |
| InChI | InChI=1S/C25H26N4O3/c1-2-28-21-14-29-20(9-8-18(25(29)32)16-10-12-26-13-11-16)23(28)22(19(21)15-30)24(31)27-17-6-4-3-5-7-17/h3-13,19,21-23,30H,2,14-15H2,1H3,(H,27,31)/t19-,21-,22+,23+/m0/s1 |
| InChIKey | OPFBOJMKCVWWQL-KZKAQZJJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-14016 (CHEBI:102669) is a bipyridines (CHEBI:50511) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14016 | LINCS |