Acebilustat
4-[[(1S,4S)-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
Molecular Identity
Acebilustat
4-[[(1S,4S)-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
PubChem CID: 68488178
2D Structure
Properties
C29H27N3O4
Molecular Formula
481.50
Molecular Weight
g/mol
481.2002
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
79
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
728
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Acebilustat943764-99-6CTX-4430EP-501J64RI4D29U4-[[(1S,4S)-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acidBenzoic acid, 4-(((1S,4S)-5-((4-(4-(2-oxazolyl)phenoxy)phenyl)methyl)-2,5-diazabicyclo(2.2.1)hept-2-yl)methyl)-acebilustatum4-(((1S,4S)-5-((4-(4-(1,3-oxazol-2-yl)phenoxy)phenyl)methyl)-2,5-diazabicyclo(2.2.1)heptan-2-yl)methyl)benzoic acidRefChem:108741MFCD30496703Acebilustat [INN]4-(((1S,4S)-5-(4-(4-(oxazol-2-yl)phenoxy)benzyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl)benzoic acidAcebilustat [WHO-DD]C29H27N3O4
Data from PubChem (NCBI)
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