1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:102113)

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CHEBI:102113 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

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ChEBI ID	CHEBI:102113
ChEBI Name	1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
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Downloads	Molfile

Formula	C26H36F3N5O5
Net Charge	0
Average Mass	555.598
Monoisotopic Mass	555.26685
SMILES	CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C
InChI	InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16-,22-/m1/s1
InChIKey	PCJFVZCPKBPEAR-XCGNWRKASA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:102113) is a azamacrocycle (CHEBI:52898)
	1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:102113) is a lactam (CHEBI:24995)

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LSM-13473	LINCS