1-cyclohexyl-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:107007)

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CHEBI:107007 - 1-cyclohexyl-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)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:107007
ChEBI Name	1-cyclohexyl-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)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	C35H53N5O5
Net Charge	0
Average Mass	623.839
Monoisotopic Mass	623.40467
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O
InChI	InChI=1S/C35H53N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h13-18,20,25-27,29,33,41H,5-12,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27-,33-/m0/s1
InChIKey	NGSMHOKAGHIENU-IZPIQJOWSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-cyclohexyl-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:107007) is a azamacrocycle (CHEBI:52898)
	1-cyclohexyl-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:107007) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-18361	LINCS