EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H29N5O4S |
| Net Charge | 0 |
| Average Mass | 495.605 |
| Monoisotopic Mass | 495.19403 |
| SMILES | CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2cn(C)cn2)[C@@H](CO)N3)cc1 |
| InChI | InChI=1S/C25H29N5O4S/c1-28(2)25(32)17-6-4-16(5-7-17)18-8-9-21-20(12-18)24-19(22(14-31)27-21)10-11-30(24)35(33,34)23-13-29(3)15-26-23/h4-9,12-13,15,19,22,24,27,31H,10-11,14H2,1-3H3/t19-,22-,24-/m1/s1 |
| InChIKey | NJEYAPCCJXRFPD-ZFJSRUIDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(3aR,4S,9bR)-4-(hydroxymethyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide (CHEBI:130679) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42228 | LINCS |