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CHEBI:129990 - N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinyl]methyl]cyclohexanecarboxamide

ChEBI IDCHEBI:129990
ChEBI NameN-[[(2S,3R,4S)-4-(hydroxymethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinyl]methyl]cyclohexanecarboxamide
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DownloadsMolfile
FormulaC22H28N4O2
Net Charge0
Average Mass380.492
Monoisotopic Mass380.22123
SMILESO=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C1CCCCC1
InChIInChI=1S/C22H28N4O2/c27-13-20-21(16-8-6-15(7-9-16)18-10-23-14-24-11-18)19(26-20)12-25-22(28)17-4-2-1-3-5-17/h6-11,14,17,19-21,26-27H,1-5,12-13H2,(H,25,28)/t19-,20-,21-/m1/s1
InChIKeyZJXDUIZNQIOPCB-NJDAHSKKSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinyl]methyl]cyclohexanecarboxamide (CHEBI:129990) is a pyrimidines (CHEBI:39447)
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LSM-41541LINCS