CHEBI:104105 - 4-amino-N-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide

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ChEBI Name 4-amino-N-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
ChEBI ID CHEBI:104105
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H19BrFN5O3
Net Charge 0
Average Mass 464.289
Monoisotopic Mass 463.06553
InChI InChI=1S/C19H19BrFN5O3/c20-14-5-6-16(28-11-12-3-1-2-4-15(12)21)13(9-14)10-23-7-8-24-19(27)17-18(22)26-29-25-17/h1-6,9,23H,7-8,10-11H2,(H2,22,26)(H,24,27)
InChIKey VJTIFSGFGLTUDR-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)CNCCNC(=O)C3=NON=C3N)F
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 4-amino-N-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide (CHEBI:104105) is a aromatic amine (CHEBI:33860)
Manual Xref Database
LSM-15463 LINCS
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