3-(1,3-benzodioxol-5-yl)-1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methylurea (CHEBI:100201)

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CHEBI:100201 - 3-(1,3-benzodioxol-5-yl)-1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:100201
ChEBI Name	3-(1,3-benzodioxol-5-yl)-1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methylurea
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Formula	C32H46N4O7
Net Charge	0
Average Mass	598.741
Monoisotopic Mass	598.33665
SMILES	C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O1
InChI	InChI=1S/C32H46N4O7/c1-21-17-36(22(2)19-37)31(38)26-16-25(34(4)5)11-13-27(26)43-23(3)9-7-8-14-40-30(21)18-35(6)32(39)33-24-10-12-28-29(15-24)42-20-41-28/h10-13,15-16,21-23,30,37H,7-9,14,17-20H2,1-6H3,(H,33,39)/t21-,22+,23+,30-/m0/s1
InChIKey	SIEZSLVXLUPDNY-NWWGNFDPSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(1,3-benzodioxol-5-yl)-1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methylurea (CHEBI:100201) is a azamacrocycle (CHEBI:52898)
	3-(1,3-benzodioxol-5-yl)-1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methylurea (CHEBI:100201) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-11578	LINCS