EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:125007 - (1S,5R)-3-[(3-methoxyphenyl)methyl]-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:125007
ChEBI Name(1S,5R)-3-[(3-methoxyphenyl)methyl]-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
Stars
DownloadsMolfile
FormulaC26H28N2O
Net Charge0
Average Mass384.523
Monoisotopic Mass384.22016
SMILESCOc1cccc(CN2C[C@@H]3N[C@H](C2)C3c2ccc(-c3ccccc3C)cc2)c1
InChIInChI=1S/C26H28N2O/c1-18-6-3-4-9-23(18)20-10-12-21(13-11-20)26-24-16-28(17-25(26)27-24)15-19-7-5-8-22(14-19)29-2/h3-14,24-27H,15-17H2,1-2H3/t24-,25+,26?
InChIKeyXHVLGXMBWCWHQQ-IQCGEYIDSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-3-[(3-methoxyphenyl)methyl]-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125007) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-36469LINCS