EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H38N4O5S |
| Net Charge | 0 |
| Average Mass | 566.724 |
| Monoisotopic Mass | 566.25629 |
| SMILES | COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CC(C)N4C(=O)C3CC3)CC2)CC1 |
| InChI | InChI=1S/C30H38N4O5S/c1-21-19-24-20-25(9-10-26(24)34(21)30(36)22-7-8-22)40(37,38)33-13-11-23(12-14-33)29(35)32-17-15-31(16-18-32)27-5-3-4-6-28(27)39-2/h3-6,9-10,20-23H,7-8,11-19H2,1-2H3 |
| InChIKey | IMQVPBIPMJQTCN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cyclopropyl-[5-[[4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]sulfonyl]-2-methyl-2,3-dihydroindol-1-yl]methanone (CHEBI:105114) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16477 | LINCS |