Furaprevir
cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-18-[[2-(4-propan-2-yloxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]oxy]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
Molecular Identity
Furaprevir
cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-18-[[2-(4-propan-2-yloxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]oxy]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
PubChem CID: 51037069
2D Structure
Properties
C47H56N6O10S
Molecular Formula
897.00
Molecular Weight
g/mol
896.3779
Exact Mass
Da
7.3
XLogP
Above Lipinski threshold
217
TPSA
May have limited oral absorption
3
H-Bond Donors
12
H-Bond Acceptors
1860
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC1=CC=C(C=C1)C2=NC3=C(C(=N2)OC4CC5C(=O)NC6(CC6C=CCCCCCC(C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)NS(=O)(=O)C8(CC8)C)OC9=CC=CC=C93Isomeric SMILES
SMILES: CC(C)OC1=CC=C(C=C1)C2=NC3=C(C(=N2)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6/C=C\CCCCC[C@@H](C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)NS(=O)(=O)C8(CC8)C)OC9=CC=CC=C93Synonyms(20)
FuraprevirFuraprevir [INN]TG-2349UNII-0UMM44REU90UMM44REU9FURAPREVIR [WHO-DD]Cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-18-[[2-(4-propan-2-yloxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]oxy]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamatefuraprevirumcyclopentyl N-((1S,4R,6S,7Z,14S,18R)-4-((1-methylcyclopropyl)sulfonylcarbamoyl)-2,15-dioxo-18-((2-(4-propan-2-yloxyphenyl)-(1)benzofuro(3,2-d)pyrimidin-4-yl)oxy)-3,16-diazatricyclo(14.3.0.04,6)nonadec-7-en-14-yl)carbamateRefChem:141771TG 23491435923-88-8TG 2349SCHEMBL6857175CHEMBL4297647
Data from PubChem (NCBI)
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