Avagacestat
(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide
Molecular Identity
Avagacestat
(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide
PubChem CID: 46883536
Avagacestat is a ring assembly and an oxadiazole.
2D Structure
Properties
C20H17ClF4N4O4S
Molecular Formula
520.90
Molecular Weight
g/mol
520.0595
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
128
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
792
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)C(CCC(F)(F)F)C(=O)N)ClIsomeric SMILES
SMILES: C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)[C@H](CCC(F)(F)F)C(=O)N)ClSynonyms(20)
Avagacestat1146699-66-2BMS-708163BMS 708163BMS-708163-01TQ44WWY45QBMS708163BMS-70816301(2R)-2-(N-((4-Chlorophenyl)sulfonyl)-N-((2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl)methyl)amino)-5,5,5-trifluoropentanamidePentanamide, 2-[[(4-chlorophenyl)sulfonyl][[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoro-, (2R)-DTXSID40150811(2R)-5,5,5-trifluoro-2-(N-{[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl}4-chlorobenzenesulfonamido)pentanamidePENTANAMIDE, 2-(((4-CHLOROPHENYL)SULFONYL)((2-FLUORO-4-(1,2,4-OXADIAZOL-3-YL)PHENYL)METHYL)AMINO)-5,5,5-TRIFLUORO-, (2R)-avagacestatum(2R)-5,5,5-trifluoro-2-(N-((2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl)methyl)4-chlorobenzenesulfonamido)pentanamide
Data from PubChem (NCBI)
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Drug Network
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