1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:129783)

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CHEBI:129783 - 1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea

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ChEBI ID	CHEBI:129783
ChEBI Name	1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C38H49F3N4O6
Net Charge	0
Average Mass	714.826
Monoisotopic Mass	714.36042
SMILES	COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChI	InChI=1S/C38H49F3N4O6/c1-25-21-45(26(2)24-46)36(47)33-20-31(43-37(48)42-30-13-11-29(12-14-30)38(39,40)41)15-18-34(33)51-27(3)8-6-7-19-50-35(25)23-44(4)22-28-9-16-32(49-5)17-10-28/h9-18,20,25-27,35,46H,6-8,19,21-24H2,1-5H3,(H2,42,43,48)/t25-,26-,27+,35+/m1/s1
InChIKey	XGMQKVJTWVADHD-NUNJUMJCSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:129783) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:129783) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41334	LINCS