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CHEBI:125003 - (1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:125003
ChEBI Name(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane
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FormulaC25H27N3O2
Net Charge0
Average Mass401.510
Monoisotopic Mass401.21033
SMILESCOc1cc(CN2C[C@@H]3N[C@H](C2)C3c2ccc(-c3ccncc3)cc2)cc(OC)c1
InChIInChI=1S/C25H27N3O2/c1-29-21-11-17(12-22(13-21)30-2)14-28-15-23-25(24(16-28)27-23)20-5-3-18(4-6-20)19-7-9-26-10-8-19/h3-13,23-25,27H,14-16H2,1-2H3/t23-,24+,25?
InChIKeyIBUGMZNJZNREHW-XMGLRAKGSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125003) is a piperidines (CHEBI:26151)
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