Fulacimstat
1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
Molecular Identity
Fulacimstat
1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
PubChem CID: 91758792
2D Structure
Properties
C23H16F3N3O6
Molecular Formula
487.40
Molecular Weight
g/mol
487.0991
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
107
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
984
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2=C(C=C(C=C2)N3C=C(C(=O)N(C3=O)C4CCC5=C4C=CC=C5C(F)(F)F)C(=O)O)OC1=OIsomeric SMILES
SMILES: CN1C2=C(C=C(C=C2)N3C=C(C(=O)N(C3=O)[C@@H]4CCC5=C4C=CC=C5C(F)(F)F)C(=O)O)OC1=OSynonyms(20)
Fulacimstat1488354-15-9BAY1142524VIR72PP4ZUBAY-11425241-(2,3-Dihydro-3-methyl-2-oxo-6-benzoxazolyl)-3-((1R)-2,3-dihydro-4-(trifluoromethyl)-1H-inden-1-yl)-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid5-Pyrimidinecarboxylic acid, 1-(2,3-dihydro-3-methyl-2-oxo-6-benzoxazolyl)-3-((1R)-2,3-dihydro-4-(trifluoromethyl)-1H-inden-1-yl)-1,2,3,4-tetrahydro-2,4-dioxo-fulacimstatum1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2,4-dioxo-3-((1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid1-(3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acidRefChem:141620Fulacimstat [INN]UNII-VIR72PP4ZU1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acidFulacimstat(BAY 1142524)
Data from PubChem (NCBI)
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