EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H32N6OS |
| Net Charge | 0 |
| Average Mass | 464.639 |
| Monoisotopic Mass | 464.23583 |
| SMILES | CC1CCN(Cc2ccc(NC(=O)C3CCN(c4nnc(-n5cccc5)s4)CC3)cc2)CC1 |
| InChI | InChI=1S/C25H32N6OS/c1-19-8-14-29(15-9-19)18-20-4-6-22(7-5-20)26-23(32)21-10-16-31(17-11-21)25-28-27-24(33-25)30-12-2-3-13-30/h2-7,12-13,19,21H,8-11,14-18H2,1H3,(H,26,32) |
| InChIKey | GJJFKEYOWCANIT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide (CHEBI:116797) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28249 | LINCS |