CHEBI:122956 - 1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea

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ChEBI Name 1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea
ChEBI ID CHEBI:122956
Stars This entity has been manually annotated by a third party.
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Formula C25H28FN3O6
Net Charge 0
Average Mass 485.506
Monoisotopic Mass 485.19621
InChI InChI=1S/C25H28FN3O6/c26-15-1-3-16(4-2-15)27-25(32)28-17-5-6-21-19(11-17)20-12-18(34-22(14-30)24(20)35-21)13-23(31)29-7-9-33-10-8-29/h1-6,11,18,20,22,24,30H,7-10,12-14H2,(H2,27,28,32)/t18-,20+,22-,24-/m1/s1
InChIKey FIOSTBRHNPGFJR-USHXRURQSA-N
SMILES C1COCCN1C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)F
ChEBI Ontology
Outgoing 1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-fluorophenyl)urea (CHEBI:122956) is a ureas (CHEBI:47857)
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