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 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
ChEBI ID CHEBI:123539
Stars This entity has been manually annotated by a third party.
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Formula C24H25F2N3O4
Net Charge 0
Average Mass 457.471
Monoisotopic Mass 457.18131
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
SMILES C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F
ChEBI Ontology
Outgoing 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 Xref Database
LSM-34981 LINCS
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