Vipoglanstat
2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
Molecular Identity
Vipoglanstat
2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
PubChem CID: 56649447
2D Structure
Properties
C30H34Cl2F5N5O3
Molecular Formula
678.50
Molecular Weight
g/mol
677.1959
Exact Mass
Da
7.8
XLogP
Above Lipinski threshold
97.3
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
10
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C(=O)NCC1=C(C(=C(C=C1)Cl)NC2=NC3=C(N2C)C=C(C(=C3)C(=O)NC4CCC(CC4)C(F)(F)F)OCC(F)F)ClIsomeric SMILES
SMILES: CC(C)(C)C(=O)NCC1=C(C(=C(C=C1)Cl)NC2=NC3=C(N2C)C=C(C(=C3)C(=O)NC4CCC(CC4)C(F)(F)F)OCC(F)F)ClSynonyms(20)
Vipoglanstat1360622-01-0GS-248FN57BDR4DA1H-Benzimidazole-5-carboxamide, 2-((2,6-dichloro-3-(((2,2-dimethyl-1-oxopropyl)amino)methyl)phenyl)amino)-6-(2,2-difluoroethoxy)-1-methyl-N-(trans-4-(trifluoromethyl)cyclohexyl)-2-((2,6-Dichloro-3-(((2,2-dimethyl-1-oxopropyl)amino)methyl)phenyl)amino)-6-(2,2-difluoroethoxy)-1-methyl-N-(trans-4-(trifluoromethyl)cyclohexyl)-1H-benzimidazole-5-carboxamide2-((2,6-Dichloro-3-(pivalamidomethyl)phenyl)amino)-6-(2,2-difluoroethoxy)-1-methyl-N-(trans-4-(trifluoromethyl)cyclohexyl)-1H-benzo[d]imidazole-5-carboxamidevipoglanstat [INN]UNII-FN57BDR4DABI-1029539orb1738606CHEMBL3694493SCHEMBL10169877SCHEMBL11970119SCHEMBL29589517
Data from PubChem (NCBI)
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