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CHEBI:131314 - [(8S,9S,10S)-6-(3-methoxyphenyl)sulfonyl-9-[4-(5-pyrimidinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

ChEBI IDCHEBI:131314
ChEBI Name[(8S,9S,10S)-6-(3-methoxyphenyl)sulfonyl-9-[4-(5-pyrimidinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
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DownloadsMolfile
FormulaC26H30N4O4S
Net Charge0
Average Mass494.617
Monoisotopic Mass494.19878
SMILESCOc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@@H](c4ccc(-c5cncnc5)cc4)[C@H]3C2)c1
InChIInChI=1S/C26H30N4O4S/c1-34-22-5-4-6-23(13-22)35(32,33)29-11-2-3-12-30-24(16-29)26(25(30)17-31)20-9-7-19(8-10-20)21-14-27-18-28-15-21/h4-10,13-15,18,24-26,31H,2-3,11-12,16-17H2,1H3/t24-,25-,26+/m1/s1
InChIKeyTXJKNLVPROBDPP-CYXNTTPDSA-N
ChEBI Ontology
Outgoing Relation(s)
[(8S,9S,10S)-6-(3-methoxyphenyl)sulfonyl-9-[4-(5-pyrimidinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol (CHEBI:131314) is a pyrimidines (CHEBI:39447)
Manual XrefsDatabases
LSM-38868LINCS