Relacatib
N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
Molecular Identity
Relacatib
N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID: 6918602
2D Structure
Properties
C27H32N4O6S
Molecular Formula
540.60
Molecular Weight
g/mol
540.2043
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
147
TPSA
May have limited oral absorption
2
H-Bond Donors
8
H-Bond Acceptors
967
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Relacatib362505-84-8SB-462795BL51M8CB8RN-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamideSB462795N-((1S)-3-Methyl-1-((((4S,7R)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)hexahydro-1H-azepin-4-yl)amino)carbonyl)-butyl)-1-benzofuran-2-carboxamiderelacatibumN-((2S)-4-methyl-1-(((4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino)-1-oxopentan-2-yl)-1-benzofuran-2-carboxamideRefChem:879218(2S)-2-((1-benzofuran-2-yl)formamido)-4-methyl-N-((4S,7R)-7-methyl-3-oxo-1-(pyridine-2-sulfonyl)azepan-4-yl)pentanamideCHEMBL203665Relacatib (USAN/INN)Relacatib [USAN]Relacatib [USAN:INN]
Data from PubChem (NCBI)
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