1-(4-fluorophenyl)-3-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:129547)

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CHEBI:129547 - 1-(4-fluorophenyl)-3-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea

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ChEBI ID	CHEBI:129547
ChEBI Name	1-(4-fluorophenyl)-3-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H46F4N4O5
Net Charge	0
Average Mass	702.790
Monoisotopic Mass	702.34043
SMILES	C[C@@H]1CCCCO[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1
InChI	InChI=1S/C37H46F4N4O5/c1-24-20-45(25(2)23-46)35(47)32-19-31(43-36(48)42-30-14-12-29(38)13-15-30)16-17-33(32)50-26(3)7-5-6-18-49-34(24)22-44(4)21-27-8-10-28(11-9-27)37(39,40)41/h8-17,19,24-26,34,46H,5-7,18,20-23H2,1-4H3,(H2,42,43,48)/t24-,25-,26+,34+/m0/s1
InChIKey	PIPSXTOHKBCCEO-BEAGFIRGSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(4-fluorophenyl)-3-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:129547) is a azamacrocycle (CHEBI:52898)
	1-(4-fluorophenyl)-3-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:129547) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41098	LINCS