EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H31N5O2 |
| Net Charge | 0 |
| Average Mass | 361.490 |
| Monoisotopic Mass | 361.24778 |
| SMILES | CC(C)CC(=O)Nc1nnc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C |
| InChI | InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25) |
| InChIKey | HUXYBQXJVXOMKX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[6,6-dimethyl-5-[(1-methyl-4-piperidinyl)-oxomethyl]-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide (CHEBI:91371) is a piperidinecarboxamide (CHEBI:48592) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1073 | LINCS |