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CHEBI:128432 - 3-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-(3-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:128432
ChEBI Name3-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-(3-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide
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DownloadsMolfile
FormulaC30H36N4O2
Net Charge0
Average Mass484.644
Monoisotopic Mass484.28383
SMILESCN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(Cc5cccnc5)C[C@@H]34)cc2)c1
InChIInChI=1S/C30H36N4O2/c1-32(2)30(36)26-9-5-8-25(17-26)23-10-12-24(13-11-23)29-27-20-33(19-22-7-6-14-31-18-22)15-3-4-16-34(27)28(29)21-35/h5-14,17-18,27-29,35H,3-4,15-16,19-21H2,1-2H3/t27-,28-,29-/m0/s1
InChIKeyKXRXTXUVUAPZFH-AWCRTANDSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-(3-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:128432) is a biphenyls (CHEBI:22888)
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LSM-39987LINCS