EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H27N3O2 |
| Net Charge | 0 |
| Average Mass | 413.521 |
| Monoisotopic Mass | 413.21033 |
| SMILES | COc1ccc(NC(=O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 |
| InChI | InChI=1S/C26H27N3O2/c1-31-20-12-10-19(11-13-20)27-25(30)18-28-14-16-29(17-15-28)26-23-8-4-2-6-21(23)22-7-3-5-9-24(22)26/h2-13,26H,14-18H2,1H3,(H,27,30) |
| InChIKey | ACUVUDWJWJUPDC-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[4-(9H-fluoren-9-yl)-1-piperazinyl]-N-(4-methoxyphenyl)acetamide (CHEBI:107586) is a fluorenes (CHEBI:24059) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18942 | LINCS |