EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22N4O4 |
| Net Charge | 0 |
| Average Mass | 394.431 |
| Monoisotopic Mass | 394.16411 |
| SMILES | Cc1c(NC(=O)CNCc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C |
| InChI | InChI=1S/C21H22N4O4/c1-14-20(21(27)25(24(14)2)16-6-4-3-5-7-16)23-19(26)12-22-11-15-8-9-17-18(10-15)29-13-28-17/h3-10,22H,11-13H2,1-2H3,(H,23,26) |
| InChIKey | HHIHHYXYXHILOT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,3-benzodioxol-5-ylmethylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide (CHEBI:104201) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15565 | LINCS |