1-[[(3R,9R,10R)-16-[[(cyclohexylamino)-oxomethyl]amino]-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]-3-(4-fluorophenyl)-1-methylurea (CHEBI:125995)

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CHEBI:125995 - 1-[[(3R,9R,10R)-16-[[(cyclohexylamino)-oxomethyl]amino]-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]-3-(4-fluorophenyl)-1-methylurea

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ChEBI ID	CHEBI:125995
ChEBI Name	1-[[(3R,9R,10R)-16-[[(cyclohexylamino)-oxomethyl]amino]-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]-3-(4-fluorophenyl)-1-methylurea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C36H52FN5O6
Net Charge	0
Average Mass	669.839
Monoisotopic Mass	669.39016
SMILES	C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O1
InChI	InChI=1S/C36H52FN5O6/c1-24-21-42(25(2)23-43)34(44)31-20-30(39-35(45)38-28-11-6-5-7-12-28)17-18-32(31)48-26(3)10-8-9-19-47-33(24)22-41(4)36(46)40-29-15-13-27(37)14-16-29/h13-18,20,24-26,28,33,43H,5-12,19,21-23H2,1-4H3,(H,40,46)(H2,38,39,45)/t24-,25-,26-,33+/m1/s1
InChIKey	YUMPKBOHFCUQDK-WCPDHXNLSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(3R,9R,10R)-16-[[(cyclohexylamino)-oxomethyl]amino]-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]-3-(4-fluorophenyl)-1-methylurea (CHEBI:125995) is a azamacrocycle (CHEBI:52898)
	1-[[(3R,9R,10R)-16-[[(cyclohexylamino)-oxomethyl]amino]-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]-3-(4-fluorophenyl)-1-methylurea (CHEBI:125995) is a lactam (CHEBI:24995)

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