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CHEBI:128192 - 3-[4-[(8R,9R,10R)-6-ethylsulfonyl-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile
| Formula | C24H29N3O3S |
| Net Charge | 0 |
| Average Mass | 439.581 |
| Monoisotopic Mass | 439.19296 |
| SMILES | CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1 |
| InChI | InChI=1S/C24H29N3O3S/c1-2-31(29,30)26-12-3-4-13-27-22(16-26)24(23(27)17-28)20-10-8-19(9-11-20)21-7-5-6-18(14-21)15-25/h5-11,14,22-24,28H,2-4,12-13,16-17H2,1H3/t22-,23-,24+/m0/s1 |
| InChIKey | NRNIUUYALMVCJX-KMDXXIMOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[4-[(8R,9R,10R)-6-ethylsulfonyl-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:128192) is a biphenyls (CHEBI:22888) |
| 3-[4-[(8R,9R,10R)-6-ethylsulfonyl-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:128192) is a nitrile (CHEBI:18379) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39747 | LINCS |