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CHEBI:126850 - [(8S,9R,10R)-10-(hydroxymethyl)-9-[4-(2-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-(3-pyridinyl)methanone

ChEBI IDCHEBI:126850
ChEBI Name[(8S,9R,10R)-10-(hydroxymethyl)-9-[4-(2-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-(3-pyridinyl)methanone
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DownloadsMolfile
FormulaC28H31N3O3
Net Charge0
Average Mass457.574
Monoisotopic Mass457.23654
SMILESCOc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)c4cccnc4)CCCCN3[C@H]2CO)cc1
InChIInChI=1S/C28H31N3O3/c1-34-26-9-3-2-8-23(26)20-10-12-21(13-11-20)27-24-18-30(28(33)22-7-6-14-29-17-22)15-4-5-16-31(24)25(27)19-32/h2-3,6-14,17,24-25,27,32H,4-5,15-16,18-19H2,1H3/t24-,25+,27-/m1/s1
InChIKeyKAWIPUFCWVTOPB-CMTIAEDTSA-N
ChEBI Ontology
Outgoing Relation(s)
[(8S,9R,10R)-10-(hydroxymethyl)-9-[4-(2-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-(3-pyridinyl)methanone (CHEBI:126850) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-38413LINCS