EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C28H35N3O3 |
| Net Charge | 0 |
| Average Mass | 461.606 |
| Monoisotopic Mass | 461.26784 |
| SMILES | COc1ccc(NC(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 |
| InChI | InChI=1S/C28H35N3O3/c1-34-24-14-12-23(13-15-24)29-28(33)30-16-4-5-17-31-25(18-30)27(26(31)19-32)22-10-8-21(9-11-22)20-6-2-3-7-20/h6,8-15,25-27,32H,2-5,7,16-19H2,1H3,(H,29,33)/t25-,26+,27-/m0/s1 |
| InChIKey | MIUSDJBPCCVFPT-VJGNERBWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (8R,9S,10S)-9-[4-(1-cyclopentenyl)phenyl]-10-(hydroxymethyl)-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:130685) is a azetidines (CHEBI:38777) |
| (8R,9S,10S)-9-[4-(1-cyclopentenyl)phenyl]-10-(hydroxymethyl)-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:130685) is a benzenes (CHEBI:22712) |
| (8R,9S,10S)-9-[4-(1-cyclopentenyl)phenyl]-10-(hydroxymethyl)-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:130685) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42234 | LINCS |