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

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ChEBI Name 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 ID CHEBI:102550
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H32F5N3O3
Net Charge 0
Average Mass 517.533
Monoisotopic Mass 517.23638
InChI InChI=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
InChIKey JTIGHJUHEGWKGG-MFEFFIJZSA-N
SMILES C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC
ChEBI Ontology
Outgoing 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 Xref Database
LSM-13897 LINCS
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