EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H27N5O2 |
| Net Charge | 0 |
| Average Mass | 405.502 |
| Monoisotopic Mass | 405.21648 |
| SMILES | COc1cc(C(c2nnnn2C2CCCC2)N2CCc3ccccc3C2)ccc1O |
| InChI | InChI=1S/C23H27N5O2/c1-30-21-14-17(10-11-20(21)29)22(23-24-25-26-28(23)19-8-4-5-9-19)27-13-12-16-6-2-3-7-18(16)15-27/h2-3,6-7,10-11,14,19,22,29H,4-5,8-9,12-13,15H2,1H3 |
| InChIKey | ZLKIBTOQISIPFV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(1-cyclopentyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol (CHEBI:104058) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15416 | LINCS |