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CHEBI:131154 - 3-[[2-(3-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid

ChEBI IDCHEBI:131154
ChEBI Name3-[[2-(3-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid
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DownloadsMolfile
FormulaC22H23N5O2
Net Charge0
Average Mass389.459
Monoisotopic Mass389.18517
SMILESO=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C22H23N5O2/c28-21(29)7-11-24-19-14-20(26-22(25-19)18-6-3-10-23-15-18)27-12-8-16-4-1-2-5-17(16)9-13-27/h1-6,10,14-15H,7-9,11-13H2,(H,28,29)(H,24,25,26)
InChIKeyLJIFOCRGDDQFJF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[[2-(3-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid (CHEBI:131154) is a organonitrogen heterocyclic compound (CHEBI:38101)
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