N-[[(2S,3R)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide (CHEBI:113917)

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CHEBI:113917 - N-[[(2S,3R)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide

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ChEBI ID	CHEBI:113917
ChEBI Name	N-[[(2S,3R)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
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Formula	C25H28FN3O4
Net Charge	0
Average Mass	453.514
Monoisotopic Mass	453.20638
SMILES	CC(=O)N(C)C[C@H]1Oc2ncc(C#Cc3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C
InChI	InChI=1S/C25H28FN3O4/c1-16-13-29(17(2)15-30)25(32)22-11-20(6-5-19-7-9-21(26)10-8-19)12-27-24(22)33-23(16)14-28(4)18(3)31/h7-12,16-17,23,30H,13-15H2,1-4H3/t16-,17-,23-/m1/s1
InChIKey	XVANEVHAXZLZTM-SEPYTNNBSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(2S,3R)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide (CHEBI:113917) is a organofluorine compound (CHEBI:37143)

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LSM-25349	LINCS