EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H30ClN3O4 |
| Net Charge | 0 |
| Average Mass | 496.007 |
| Monoisotopic Mass | 495.19248 |
| SMILES | Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(C(=O)NC(C)c2ccc3c(c2)OCCO3)C1 |
| InChI | InChI=1S/C27H30ClN3O4/c1-17(19-8-9-24-25(14-19)34-12-11-33-24)29-26(32)21-6-4-10-31(15-21)16-23-18(2)35-27(30-23)20-5-3-7-22(28)13-20/h3,5,7-9,13-14,17,21H,4,6,10-12,15-16H2,1-2H3,(H,29,32) |
| InChIKey | PHMBDSDPJJTNFK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-piperidinecarboxamide (CHEBI:120935) is a 1,3-oxazoles (CHEBI:46812) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32378 | LINCS |