CHEBI:107446 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propyl-4-triazolecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propyl-4-triazolecarboxamide
ChEBI ID CHEBI:107446
Stars This entity has been manually annotated by a third party.
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Formula C22H21FN8O3
Net Charge 0
Average Mass 464.453
Monoisotopic Mass 464.17206
InChI InChI=1S/C22H21FN8O3/c1-2-4-18-19(26-30-31(18)21-20(24)28-34-29-21)22(32)27-25-12-15-5-3-6-17(11-15)33-13-14-7-9-16(23)10-8-14/h3,5-12H,2,4,13H2,1H3,(H2,24,28)(H,27,32)
InChIKey PEUDXRHCFBVMTL-UHFFFAOYSA-N
SMILES CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)OCC4=CC=C(C=C4)F
ChEBI Ontology
Outgoing 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propyl-4-triazolecarboxamide (CHEBI:107446) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-18801 LINCS
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