EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H24N2O4S |
| Net Charge | 0 |
| Average Mass | 496.588 |
| Monoisotopic Mass | 496.14568 |
| SMILES | CC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)C(=Cc2cccs2)CCC3)cc1 |
| InChI | InChI=1S/C29H24N2O4S/c1-18(32)19-11-13-21(14-12-19)30-26(33)17-35-29(34)27-23-8-2-3-10-25(23)31-28-20(6-4-9-24(27)28)16-22-7-5-15-36-22/h2-3,5,7-8,10-16H,4,6,9,17H2,1H3,(H,30,33) |
| InChIKey | VJGDROGPTBOECG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(4-acetylanilino)-2-oxoethyl] ester (CHEBI:105486) is a acridines (CHEBI:22213) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16849 | LINCS |