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CHEBI:128239 - 1-[2-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol

ChEBI IDCHEBI:128239
ChEBI Name1-[2-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol
Stars
DownloadsMolfile
FormulaC27H34N4O2
Net Charge0
Average Mass446.595
Monoisotopic Mass446.26818
SMILESOC[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21
InChIInChI=1S/C27H34N4O2/c32-19-25-26(23-7-5-21(6-8-23)9-12-27(33)10-1-2-11-27)24-18-30(13-3-4-14-31(24)25)17-22-15-28-20-29-16-22/h5-8,15-16,20,24-26,32-33H,1-4,10-11,13-14,17-19H2/t24-,25+,26+/m1/s1
InChIKeyXBLMBZLFERXHHT-ZNZIZOMTSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[2-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol (CHEBI:128239) is a azetidines (CHEBI:38777)
1-[2-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol (CHEBI:128239) is a benzenes (CHEBI:22712)
1-[2-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol (CHEBI:128239) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-39794LINCS