1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-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-methoxyphenyl)urea (CHEBI:106863)

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CHEBI:106863 - 1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-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-methoxyphenyl)urea

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ChEBI ID	CHEBI:106863
ChEBI Name	1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-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-methoxyphenyl)urea
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Formula	C31H46N4O6
Net Charge	0
Average Mass	570.731
Monoisotopic Mass	570.34174
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C)OCCCC[C@@H](C)O3)cc1
InChI	InChI=1S/C31H46N4O6/c1-21-18-35(22(2)20-36)30(37)27-17-25(33-31(38)32-24-10-13-26(39-6)14-11-24)12-15-28(27)41-23(3)9-7-8-16-40-29(21)19-34(4)5/h10-15,17,21-23,29,36H,7-9,16,18-20H2,1-6H3,(H2,32,33,38)/t21-,22-,23-,29-/m1/s1
InChIKey	PSEUFYCSFOBFBF-PZNASWHRSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-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-methoxyphenyl)urea (CHEBI:106863) is a azamacrocycle (CHEBI:52898)
	1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-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-methoxyphenyl)urea (CHEBI:106863) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-18218	LINCS