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CHEBI:129236 - (8S,9S,10R)-9-[4-(2-fluorophenyl)phenyl]-10-(hydroxymethyl)-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

ChEBI IDCHEBI:129236
ChEBI Name(8S,9S,10R)-9-[4-(2-fluorophenyl)phenyl]-10-(hydroxymethyl)-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
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DownloadsMolfile
FormulaC29H32FN3O3
Net Charge0
Average Mass489.591
Monoisotopic Mass489.24277
SMILESCOc1ccc(NC(=O)N2CCCCN3[C@H](C2)[C@H](c2ccc(-c4ccccc4F)cc2)[C@@H]3CO)cc1
InChIInChI=1S/C29H32FN3O3/c1-36-23-14-12-22(13-15-23)31-29(35)32-16-4-5-17-33-26(18-32)28(27(33)19-34)21-10-8-20(9-11-21)24-6-2-3-7-25(24)30/h2-3,6-15,26-28,34H,4-5,16-19H2,1H3,(H,31,35)/t26-,27+,28+/m1/s1
InChIKeyRFUZVCVZMIURGH-PKTNWEFCSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S,10R)-9-[4-(2-fluorophenyl)phenyl]-10-(hydroxymethyl)-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:129236) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-40787LINCS