Brimarafenib
1-[(1S,1aS,6bS)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)urea
Molecular Identity
Brimarafenib
1-[(1S,1aS,6bS)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)urea
PubChem CID: 117807031
2D Structure
Properties
C24H17F3N4O4
Molecular Formula
482.40
Molecular Weight
g/mol
482.1202
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
839
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)OC5C4C5NC(=O)NC6=CC(=C(C=C6F)F)FIsomeric SMILES
SMILES: C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)O[C@H]5[C@@H]4[C@@H]5NC(=O)NC6=CC(=C(C=C6F)F)FSynonyms(20)
brimarafenib1643326-82-2GXS33OY2CB1-[(1S,1aS,6bS)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)urea1-((1S,1aS,6bS)-5-((7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy)-1a,6b-dihydro-1H-cyclopropa(b)(1)benzofuran-1-yl)-3-(2,4,5-trifluorophenyl)ureaRefChem:10801281-((1S,1aS,6bS)-5-((7-Oxo-1,5,6,7-tetrahydro-1,8-naphthyridin-4-yl)oxy)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-yl)-3-(2,4,5-trifluorophenyl)ureaBrimarafenibumbrimarafenib [INN]Brimarafenib [WHO-DD]orb2664420CHEMBL5800160SCHEMBL16380225SCHEMBL29569269GTPL13203
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Brimarafenib
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