EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H21N5O4 |
| Net Charge | 0 |
| Average Mass | 419.441 |
| Monoisotopic Mass | 419.15935 |
| SMILES | COCc1c(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)oc2ccccc12 |
| InChI | InChI=1S/C22H21N5O4/c1-13-7-3-5-9-16(13)24-22-26-18(25-21(23)27-22)12-30-20(28)19-15(11-29-2)14-8-4-6-10-17(14)31-19/h3-10H,11-12H2,1-2H3,(H3,23,24,25,26,27) |
| InChIKey | CEIVFGMMZTXJNB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(methoxymethyl)-2-benzofurancarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester (CHEBI:107859) is a benzofurans (CHEBI:35259) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19236 | LINCS |