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CHEBI:125039 - (1R,5S)-3-(2-fluorophenyl)sulfonyl-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:125039
ChEBI Name(1R,5S)-3-(2-fluorophenyl)sulfonyl-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
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FormulaC21H19FN4O2S
Net Charge0
Average Mass410.474
Monoisotopic Mass410.12128
SMILESO=S(=O)(c1ccccc1F)N1C[C@@H]2N[C@H](C1)C2c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C21H19FN4O2S/c22-17-3-1-2-4-20(17)29(27,28)26-11-18-21(19(12-26)25-18)15-7-5-14(6-8-15)16-9-23-13-24-10-16/h1-10,13,18-19,21,25H,11-12H2/t18-,19+,21?
InChIKeyPSPRAYJRKITFGY-PMSBKCLSSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,5S)-3-(2-fluorophenyl)sulfonyl-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125039) is a pyrimidines (CHEBI:39447)
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