EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126895 - 4-[4-[(8S,9S,10S)-10-(hydroxymethyl)-6-(pyridin-4-ylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:126895
ChEBI Name4-[4-[(8S,9S,10S)-10-(hydroxymethyl)-6-(pyridin-4-ylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide
Stars
DownloadsMolfile
FormulaC30H36N4O2
Net Charge0
Average Mass484.644
Monoisotopic Mass484.28383
SMILESCN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(Cc5ccncc5)C[C@H]34)cc2)cc1
InChIInChI=1S/C30H36N4O2/c1-32(2)30(36)26-11-7-24(8-12-26)23-5-9-25(10-6-23)29-27-20-33(19-22-13-15-31-16-14-22)17-3-4-18-34(27)28(29)21-35/h5-16,27-29,35H,3-4,17-21H2,1-2H3/t27-,28-,29+/m1/s1
InChIKeyTZPADAHRXAHUNQ-NLDZOOGBSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(8S,9S,10S)-10-(hydroxymethyl)-6-(pyridin-4-ylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:126895) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-38458LINCS