EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H29FN4O4 |
| Net Charge | 0 |
| Average Mass | 492.551 |
| Monoisotopic Mass | 492.21728 |
| SMILES | COc1cc(C(=O)NN=Cc2ccc(OC)c(CN3CCN(c4ccc(F)cc4)CC3)c2)ccc1O |
| InChI | InChI=1S/C27H29FN4O4/c1-35-25-10-3-19(17-29-30-27(34)20-4-9-24(33)26(16-20)36-2)15-21(25)18-31-11-13-32(14-12-31)23-7-5-22(28)6-8-23/h3-10,15-17,33H,11-14,18H2,1-2H3,(H,30,34) |
| InChIKey | HBEFWJNIFKXCNE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]methylideneamino]-4-hydroxy-3-methoxybenzamide (CHEBI:120561) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32004 | LINCS |