EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H28N6O2S |
| Net Charge | 0 |
| Average Mass | 512.639 |
| Monoisotopic Mass | 512.19945 |
| SMILES | COc1ccc(N2CCN(CCNC(=O)c3ccc4c(c3)nc(=S)n3c5ccccc5nc43)CC2)cc1 |
| InChI | InChI=1S/C28H28N6O2S/c1-36-21-9-7-20(8-10-21)33-16-14-32(15-17-33)13-12-29-27(35)19-6-11-22-24(18-19)31-28(37)34-25-5-3-2-4-23(25)30-26(22)34/h2-11,18H,12-17H2,1H3,(H,29,35)(H,31,37) |
| InChIKey | QAYSPUVJEQXMDJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide (CHEBI:114508) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25969 | LINCS |