CHEBI:106230 - 3-cyclohexyl-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-cyclohexyl-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
ChEBI ID CHEBI:106230
Stars This entity has been manually annotated by a third party.
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Formula C29H37F3N4O4
Net Charge 0
Average Mass 562.625
Monoisotopic Mass 562.27669
InChI InChI=1S/C29H37F3N4O4/c1-18-15-36(19(2)17-37)27(38)24-13-21(20-8-7-9-22(12-20)29(30,31)32)14-33-26(24)40-25(18)16-35(3)28(39)34-23-10-5-4-6-11-23/h7-9,12-14,18-19,23,25,37H,4-6,10-11,15-17H2,1-3H3,(H,34,39)/t18-,19+,25-/m0/s1
InChIKey LFZWPCZNHJKZTB-CEYNDMKZSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC(=CC=C3)C(F)(F)F)O[C@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO
ChEBI Ontology
Outgoing 3-cyclohexyl-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea (CHEBI:106230) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-17591 LINCS
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