EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C25H29N3O3 |
| Net Charge | 0 |
| Average Mass | 419.525 |
| Monoisotopic Mass | 419.22089 |
| SMILES | COc1ccc(-c2ccc([C@H]3[C@H](C#N)N(C(=O)NC4CCCCC4)[C@H]3CO)cc2)cc1 |
| InChI | InChI=1S/C25H29N3O3/c1-31-21-13-11-18(12-14-21)17-7-9-19(10-8-17)24-22(15-26)28(23(24)16-29)25(30)27-20-5-3-2-4-6-20/h7-14,20,22-24,29H,2-6,16H2,1H3,(H,27,30)/t22-,23-,24-/m0/s1 |
| InChIKey | UEJLJRRJJUOYFY-HJOGWXRNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3S,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide (CHEBI:103000) is a biphenyls (CHEBI:22888) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14346 | LINCS |