EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H22N4O4 |
| Net Charge | 0 |
| Average Mass | 394.431 |
| Monoisotopic Mass | 394.16411 |
| SMILES | COc1cc(C(=O)NN=C(Cc2nccn2)c2ccccc2)cc(OC)c1OC |
| InChI | InChI=1S/C21H22N4O4/c1-27-17-11-15(12-18(28-2)20(17)29-3)21(26)25-24-16(13-19-22-9-10-23-19)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,22,23)(H,25,26) |
| InChIKey | UTCCOJHKHVSQRA-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-3,4,5-trimethoxybenzamide (CHEBI:116524) is a benzoic acids (CHEBI:22723) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27978 | LINCS |