Galicaftor
4-[(2R,4R)-4-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-2-yl]benzoic acid
Molecular Identity
Galicaftor
4-[(2R,4R)-4-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-2-yl]benzoic acid
PubChem CID: 121301049
2D Structure
Properties
C28H21F4NO7
Molecular Formula
559.50
Molecular Weight
g/mol
559.1254
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
103
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
11
H-Bond Acceptors
957
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1(C2=CC3=C(C=C2)OC(O3)(F)F)C(=O)NC4CC(OC5=C4C=CC(=C5)OC(F)F)C6=CC=C(C=C6)C(=O)OIsomeric SMILES
SMILES: C1CC1(C2=CC3=C(C=C2)OC(O3)(F)F)C(=O)N[C@@H]4C[C@@H](OC5=C4C=CC(=C5)OC(F)F)C6=CC=C(C=C6)C(=O)OSynonyms(20)
Galicaftor1918143-53-9ABBV-2222GLPG2222J0IIT8QSQSGLPG-22224-((2R,4R)-4-(((1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)CYCLOPROPYL)CARBONYL)AMINO)-7-(DIFLUOROMETHOXY)-3,4-DIHYDRO-2H-CHROMEN-2-YL)BENZOIC ACIDBenzoic acid, 4-((2R,4R)-4-(((1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl)carbonyl)amino)-7-(difluoromethoxy)-3,4-dihydro-2H-1-benzopyran-2-yl)-4-[(2R,4R)-4-({[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl}amino)-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-2-yl]benzoic acidgalicaftorum4-((2R,4R)-4-(1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropaneamido)-7-(difluoromethoxy)-3,4-dihydro-2H-1-benzopyran-2-yl)benzoic acid4-[(2R,4R)-4-[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropaneamido]-7-(difluoromethoxy)-3,4-dihydro-2H-1-benzopyran-2-yl]benzoic acidRefChem:922015Galicaftor (ABBV-2222)Galicaftor [INN]
Data from PubChem (NCBI)
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