EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H26N4O4 |
| Net Charge | 0 |
| Average Mass | 446.507 |
| Monoisotopic Mass | 446.19541 |
| SMILES | Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1CC(=O)NCC1CCCO1)n2C |
| InChI | InChI=1S/C25H26N4O4/c1-16-10-11-20-19(13-16)22-23(27(20)2)24(31)29(17-7-4-3-5-8-17)25(32)28(22)15-21(30)26-14-18-9-6-12-33-18/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3,(H,26,30) |
| InChIKey | FGROBDPEVPAEOQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(5,8-dimethyl-2,4-dioxo-3-phenyl-1-pyrimido[5,4-b]indolyl)-N-(2-oxolanylmethyl)acetamide (CHEBI:119767) is a pyrimido-indole (CHEBI:146266) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31211 | LINCS |