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CHEBI:125018 - (1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:125018
ChEBI Name(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
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DownloadsMolfile
FormulaC24H26N4O2
Net Charge0
Average Mass402.498
Monoisotopic Mass402.20558
SMILESCOc1cc(CN2C[C@@H]3N[C@H](C2)C3c2ccc(-c3cncnc3)cc2)cc(OC)c1
InChIInChI=1S/C24H26N4O2/c1-29-20-7-16(8-21(9-20)30-2)12-28-13-22-24(23(14-28)27-22)18-5-3-17(4-6-18)19-10-25-15-26-11-19/h3-11,15,22-24,27H,12-14H2,1-2H3/t22-,23+,24?
InChIKeyOXQDGXHZPCPXBO-VSGJHWFKSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125018) is a piperidines (CHEBI:26151)
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LSM-36480LINCS