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CHEBI:110935 - 1-(4-fluorophenyl)-3-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea

ChEBI IDCHEBI:110935
ChEBI Name1-(4-fluorophenyl)-3-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
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DownloadsMolfile
FormulaC29H41FN4O5
Net Charge0
Average Mass544.668
Monoisotopic Mass544.30610
SMILESCNC[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C29H41FN4O5/c1-19-17-34(20(2)18-35)28(36)25-15-24(33-29(37)32-23-10-8-22(30)9-11-23)12-13-26(25)39-21(3)7-5-6-14-38-27(19)16-31-4/h8-13,15,19-21,27,31,35H,5-7,14,16-18H2,1-4H3,(H2,32,33,37)/t19-,20+,21-,27+/m1/s1
InChIKeyQNMRQELCDYNENZ-RBZJZWSTSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-fluorophenyl)-3-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:110935) is a azamacrocycle (CHEBI:52898)
1-(4-fluorophenyl)-3-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:110935) is a lactam (CHEBI:24995)
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