EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22N6O3 |
| Net Charge | 0 |
| Average Mass | 406.446 |
| Monoisotopic Mass | 406.17534 |
| SMILES | COc1cccc2c1=NC(=c1nc(C3CCC(C(=O)O)CC3)n3c1=C(N)N=CN3)C=2 |
| InChI | InChI=1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12H,5-8,22H2,1H3,(H,23,24)(H,28,29) |
| InChIKey | CDNMDRUIGNHEMR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[4-amino-5-(7-methoxy-2-indolylidene)-1H-imidazo[5,1-f][1,2,4]triazin-7-yl]-1-cyclohexanecarboxylic acid (CHEBI:91363) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1063 | LINCS |