EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H32N4O3 |
| Net Charge | 0 |
| Average Mass | 436.556 |
| Monoisotopic Mass | 436.24744 |
| SMILES | CN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1CCCCC1 |
| InChI | InChI=1S/C25H32N4O3/c1-28-22-19(20(15-30)23(28)24(31)27-12-16-6-3-2-4-7-16)14-29-21(22)10-9-18(25(29)32)17-8-5-11-26-13-17/h5,8-11,13,16,19-20,22-23,30H,2-4,6-7,12,14-15H2,1H3,(H,27,31)/t19-,20-,22+,23-/m1/s1 |
| InChIKey | ODVRBXJNMOGDSF-YXPKMTABSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,3aS,9bS)-N-(cyclohexylmethyl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:102272) is a bipyridines (CHEBI:50511) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13625 | LINCS |