Linafexor
3-[4-[(1R,5S)-3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-fluorophenyl]-4H-1,2,4-oxadiazol-5-one
Molecular Identity
Linafexor
3-[4-[(1R,5S)-3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-fluorophenyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID: 166997176
2D Structure
Properties
C28H25Cl2FN4O4
Molecular Formula
571.40
Molecular Weight
g/mol
570.1237
Exact Mass
Da
6.1
XLogP
Above Lipinski threshold
89.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
935
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4CC5CCC(C4)N5C6=CC(=C(C=C6)C7=NOC(=O)N7)FIsomeric SMILES
SMILES: C1C[C@H]2CC(C[C@@H]1N2C3=CC(=C(C=C3)C4=NOC(=O)N4)F)OCC5=C(ON=C5C6=C(C=CC=C6Cl)Cl)C7CC7Synonyms(15)
LinafexorCS-01592765593-43-7A1ELKUS5Q3KD5RDorb3172879SCHEMBL24295512GTPL14569CS0159EX-A11619HY-160929CS-1052169T2105501,2,4-OXADIAZOL-5(2H)-ONE, 3-(4-(3-((5-CYCLOPROPYL-3-(2,6-DICHLOROPHENYL)-4-ISOXAZOLYL)METHOXY)-8-AZABICYCLO(3.2.1)OCT-8-YL)-2-FLUOROPHENYL)-3-[4-[(1R,5S)-3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-fluorophenyl]-4H-1,2,4-oxadiazol-5-one
Data from PubChem (NCBI)
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