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CHEBI:129009 - (4-fluorophenyl)-[(8S,9R,10S)-10-(hydroxymethyl)-9-[4-(3-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone

ChEBI IDCHEBI:129009
ChEBI Name(4-fluorophenyl)-[(8S,9R,10S)-10-(hydroxymethyl)-9-[4-(3-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone
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DownloadsMolfile
FormulaC29H31FN2O3
Net Charge0
Average Mass474.576
Monoisotopic Mass474.23187
SMILESCOc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(C(=O)c5ccc(F)cc5)C[C@H]34)cc2)c1
InChIInChI=1S/C29H31FN2O3/c1-35-25-6-4-5-23(17-25)20-7-9-21(10-8-20)28-26-18-31(15-2-3-16-32(26)27(28)19-33)29(34)22-11-13-24(30)14-12-22/h4-14,17,26-28,33H,2-3,15-16,18-19H2,1H3/t26-,27-,28-/m1/s1
InChIKeyCREOWEDUZDMJSE-JCYYIGJDSA-N
ChEBI Ontology
Outgoing Relation(s)
(4-fluorophenyl)-[(8S,9R,10S)-10-(hydroxymethyl)-9-[4-(3-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:129009) is a biphenyls (CHEBI:22888)
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LSM-40561LINCS