CHEBI:95076 - sodium 3-[[2-pyridin-3-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate

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ChEBI Name sodium 3-[[2-pyridin-3-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate
ChEBI ID CHEBI:95076
Stars This entity has been manually annotated by a third party.
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Formula C22H22N5NaO2
Net Charge 0
Average Mass 411.433
Monoisotopic Mass 411.16712
InChI InChI=1S/C22H23N5O2.Na/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);/q;+1/p-1
InChIKey ZBQSYIOCAWRFHG-UHFFFAOYSA-M
SMILES C1CN(CCC2=CC=CC=C21)C3=CC(=NC(=N3)C4=CN=CC=C4)NCCC(=O)[O-].[Na+]
ChEBI Ontology
Outgoing sodium 3-[[2-pyridin-3-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate (CHEBI:95076) is a organonitrogen heterocyclic compound (CHEBI:38101)
Manual Xref Database
LSM-6327 LINCS
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