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CHEBI:126463 - 1-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea

ChEBI IDCHEBI:126463
ChEBI Name1-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
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DownloadsMolfile
FormulaC36H53FN4O5
Net Charge0
Average Mass640.841
Monoisotopic Mass640.40000
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C36H53FN4O5/c1-25-21-41(26(2)24-42)35(43)32-20-31(39-36(44)38-30-15-13-29(37)14-16-30)17-18-33(32)46-27(3)10-8-9-19-45-34(25)23-40(4)22-28-11-6-5-7-12-28/h13-18,20,25-28,34,42H,5-12,19,21-24H2,1-4H3,(H2,38,39,44)/t25-,26+,27+,34+/m1/s1
InChIKeyLHPQGQHPHMSMSB-IAYPMUAMSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea (CHEBI:126463) is a azamacrocycle (CHEBI:52898)
1-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea (CHEBI:126463) is a lactam (CHEBI:24995)
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