1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-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-(trifluoromethyl)phenyl]urea (CHEBI:104666)

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CHEBI:104666 - 1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-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-(trifluoromethyl)phenyl]urea

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ChEBI ID	CHEBI:104666
ChEBI Name	1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-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-(trifluoromethyl)phenyl]urea
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Downloads	Molfile

Formula	C31H43F3N4O5
Net Charge	0
Average Mass	608.702
Monoisotopic Mass	608.31856
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C
InChI	InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21+,22+,28-/m1/s1
InChIKey	GMYAYTAKTSTYEI-DCRAHPAHSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-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-(trifluoromethyl)phenyl]urea (CHEBI:104666) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-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-(trifluoromethyl)phenyl]urea (CHEBI:104666) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-16029	LINCS