LJN452
2-[(1R,5S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
Molecular Identity
LJN452
2-[(1R,5S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
PubChem CID: 121418176
2D Structure
Properties
C29H25F4N3O5S
Molecular Formula
603.60
Molecular Weight
g/mol
603.1451
Exact Mass
Da
6.8
XLogP
Above Lipinski threshold
126
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
13
H-Bond Acceptors
979
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
LJN452RefChem:201490Tropifexor1383816-29-2NVP-LJN452-NXALJN-452Tropifexor [INN]Tropifexor [USAN]Tropifexor (LJN452)rel-2-((1R,3r,5S)-3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)-4-fluorobenzo[d]thiazole-6-carboxylic acidNMZ08KM76ZTropifexor (USAN)2-[(1R,3r,5S)-3-({5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl}methoxy)-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid2-[(3-endo)-3-[[5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolyl]methoxy]-8-azabicyclo[3.2.1]oct-8-yl]-4-fluoro-6-benzothiazolecarboxylic acidCPD1549
Data from PubChem (NCBI)
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