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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[[2-(3-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid
ChEBI ID CHEBI:131154
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H23N5O2
Net Charge 0
Average Mass 389.451
Monoisotopic Mass 389.18518
InChI InChI=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)
InChIKey LJIFOCRGDDQFJF-UHFFFAOYSA-N
SMILES C1CN(CCC2=CC=CC=C21)C3=CC(=NC(=N3)C4=CN=CC=C4)NCCC(=O)O
ChEBI Ontology
Outgoing 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)
Manual Xref Database
LSM-42749 LINCS
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