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CHEBI:129745 - 1-[(8S,9R,10S)-10-(hydroxymethyl)-9-[4-(4-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-pyridin-4-ylethanone

ChEBI IDCHEBI:129745
ChEBI Name1-[(8S,9R,10S)-10-(hydroxymethyl)-9-[4-(4-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-pyridin-4-ylethanone
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DownloadsMolfile
FormulaC29H33N3O3
Net Charge0
Average Mass471.601
Monoisotopic Mass471.25219
SMILESCOc1ccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)Cc5ccncc5)C[C@H]34)cc2)cc1
InChIInChI=1S/C29H33N3O3/c1-35-25-10-8-23(9-11-25)22-4-6-24(7-5-22)29-26-19-31(16-2-3-17-32(26)27(29)20-33)28(34)18-21-12-14-30-15-13-21/h4-15,26-27,29,33H,2-3,16-20H2,1H3/t26-,27-,29-/m1/s1
InChIKeyGNCMCFQFNIRUHR-LSMIHOHGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(8S,9R,10S)-10-(hydroxymethyl)-9-[4-(4-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-pyridin-4-ylethanone (CHEBI:129745) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-41296LINCS