1-(2,5-difluorophenyl)-3-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]urea (CHEBI:123539)

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CHEBI:123539 - 1-(2,5-difluorophenyl)-3-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]urea

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ChEBI ID	CHEBI:123539
ChEBI Name	1-(2,5-difluorophenyl)-3-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]urea
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Formula	C24H25F2N3O4
Net Charge	0
Average Mass	457.477
Monoisotopic Mass	457.18131
SMILES	O=C(Nc1cc(F)ccc1F)N[C@@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO
InChI	InChI=1S/C24H25F2N3O4/c25-17-5-7-19(26)21(11-17)28-24(32)27-20-8-6-18(33-22(20)14-30)12-23(31)29-10-9-15-3-1-2-4-16(15)13-29/h1-8,11,18,20,22,30H,9-10,12-14H2,(H2,27,28,32)/t18-,20+,22-/m0/s1
InChIKey	VFYUOAWVFXISPO-DWLFOUALSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(2,5-difluorophenyl)-3-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]urea (CHEBI:123539) is a isoquinolines (CHEBI:24922)

Manual Xrefs	Databases
LSM-34981	LINCS