EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H28N5O3 |
| Net Charge | +1 |
| Average Mass | 446.531 |
| Monoisotopic Mass | 446.21867 |
| SMILES | COc1ccc2nc3c(=O)n([NH+]=Cc4ccc(OC)c(CN5CCCC5)c4)c(C)nc3c2c1 |
| InChI | InChI=1S/C25H27N5O3/c1-16-27-23-20-13-19(32-2)7-8-21(20)28-24(23)25(31)30(16)26-14-17-6-9-22(33-3)18(12-17)15-29-10-4-5-11-29/h6-9,12-14,28H,4-5,10-11,15H2,1-3H3/p+1 |
| InChIKey | CLCRDBUASVXZOS-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-17205 (CHEBI:105844) is a hydroxyindoles (CHEBI:84729) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17205 | LINCS |