EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:128138 - [(8R,9R,10S)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
| Formula | C24H29N3O3S |
| Net Charge | 0 |
| Average Mass | 439.581 |
| Monoisotopic Mass | 439.19296 |
| SMILES | CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccn4)cc3)[C@@H]2C1 |
| InChI | InChI=1S/C24H29N3O3S/c1-2-31(29,30)26-15-5-6-16-27-22(17-26)24(23(27)18-28)20-11-8-19(9-12-20)10-13-21-7-3-4-14-25-21/h3-4,7-9,11-12,14,22-24,28H,2,5-6,15-18H2,1H3/t22-,23+,24+/m0/s1 |
| InChIKey | SVGNIWFXRRYTAB-RBZQAINGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(8R,9R,10S)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:128138) is a azetidines (CHEBI:38777) |
| [(8R,9R,10S)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:128138) is a benzenes (CHEBI:22712) |
| [(8R,9R,10S)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:128138) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39693 | LINCS |