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CHEBI:125048 - (1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:125048
ChEBI Name(1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
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DownloadsMolfile
FormulaC23H22N4O2
Net Charge0
Average Mass386.455
Monoisotopic Mass386.17428
SMILESc1ncc(-c2ccc(C3[C@@H]4CN(Cc5ccc6c(c5)OCO6)C[C@H]3N4)cc2)cn1
InChIInChI=1S/C23H22N4O2/c1-6-21-22(29-14-28-21)7-15(1)10-27-11-19-23(20(12-27)26-19)17-4-2-16(3-5-17)18-8-24-13-25-9-18/h1-9,13,19-20,23,26H,10-12,14H2/t19-,20+,23?
InChIKeyCOTFTVJKWALVFA-DETIRCLXSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125048) is a pyrimidines (CHEBI:39447)
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