EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H30N4O3 |
| Net Charge | 0 |
| Average Mass | 422.529 |
| Monoisotopic Mass | 422.23179 |
| SMILES | CCCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCC1 |
| InChI | InChI=1S/C24H30N4O3/c1-2-11-27-21-18(19(14-29)22(27)23(30)26-16-6-3-7-16)13-28-20(21)9-8-17(24(28)31)15-5-4-10-25-12-15/h4-5,8-10,12,16,18-19,21-22,29H,2-3,6-7,11,13-14H2,1H3,(H,26,30)/t18-,19-,21+,22-/m1/s1 |
| InChIKey | FSWHIZWXGPVXBM-KRXUUXHPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,3aS,9bS)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-propyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:101304) is a bipyridines (CHEBI:50511) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12670 | LINCS |