EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H26N6O2S |
| Net Charge | 0 |
| Average Mass | 522.634 |
| Monoisotopic Mass | 522.18380 |
| SMILES | Cc1ccc(Cn2cc(C=NNC(=O)Cc3nnc(NC(=O)c4ccc(C)cc4)s3)c3ccccc32)cc1 |
| InChI | InChI=1S/C29H26N6O2S/c1-19-7-11-21(12-8-19)17-35-18-23(24-5-3-4-6-25(24)35)16-30-32-26(36)15-27-33-34-29(38-27)31-28(37)22-13-9-20(2)10-14-22/h3-14,16,18H,15,17H2,1-2H3,(H,32,36)(H,31,34,37) |
| InChIKey | FCFIMGYJKSFKSJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-methyl-N-[5-[2-[2-[[1-[(4-methylphenyl)methyl]-3-indolyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide (CHEBI:112350) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23762 | LINCS |