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CHEBI:102550 - 1-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:102550
ChEBI Name1-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
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FormulaC25H32F5N3O3
Net Charge0
Average Mass517.539
Monoisotopic Mass517.23638
SMILESCO[C@@H](CN(C)Cc1cc(F)ccc1F)[C@@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CO
InChIInChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17+,23-/m0/s1
InChIKeyJTIGHJUHEGWKGG-MFEFFIJZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:102550) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-13897LINCS