1-(4-fluorophenyl)-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:104753)

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CHEBI:104753 - 1-(4-fluorophenyl)-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)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:104753
ChEBI Name	1-(4-fluorophenyl)-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)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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Downloads	Molfile

Formula	C32H47FN4O5
Net Charge	0
Average Mass	586.749
Monoisotopic Mass	586.35305
SMILES	CCCN(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C32H47FN4O5/c1-6-16-36(5)20-30-22(2)19-37(23(3)21-38)31(39)28-18-27(35-32(40)34-26-12-10-25(33)11-13-26)14-15-29(28)42-24(4)9-7-8-17-41-30/h10-15,18,22-24,30,38H,6-9,16-17,19-21H2,1-5H3,(H2,34,35,40)/t22-,23+,24-,30-/m0/s1
InChIKey	ZDZLFJDSEKLXNO-PUMORYBASA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(4-fluorophenyl)-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:104753) is a azamacrocycle (CHEBI:52898)
	1-(4-fluorophenyl)-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:104753) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-16116	LINCS