Mk-7145
5-[(1R)-1-hydroxy-2-[4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
Molecular Identity
Mk-7145
5-[(1R)-1-hydroxy-2-[4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
PubChem CID: 59568713
2D Structure
Properties
C26H30N2O6
Molecular Formula
466.50
Molecular Weight
g/mol
466.2104
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
99.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
694
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC2=C1COC2=O)C(CN3CCN(CC3)CC(C4=C(C5=C(C=C4)C(=O)OC5)C)O)OIsomeric SMILES
SMILES: CC1=C(C=CC2=C1COC2=O)[C@H](CN3CCN(CC3)C[C@@H](C4=C(C5=C(C=C4)C(=O)OC5)C)O)OSynonyms(20)
MK-71451255204-84-25,5'-((1R,1'R)-Piperazine-1,4-diylbis(1-hydroxyethane-2,1-diyl))bis(4-methylisobenzofuran-1(3H)-one)M371870BYL5-[(1R)-1-hydroxy-2-[4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one1(3H)-Isobenzofuranone, 5,5'-(1,4-piperazinediylbis((1R)-1-hydroxy-2,1-ethanediyl))bis(4-methyl-5-((1R)-1-hydroxy-2-(4-((2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl)piperazin-1-yl)ethyl)-4-methyl-3H-2-benzofuran-1-oneRefChem:1592115-((1R)-1-hydroxy-2-(4-((2R)-2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl)piperazin-1-yl)ethyl)-4-methyl-1,3-dihydro-2-benzofuran-1-oneUNII-M371870BYLorb1709112SCHEMBL2894681CHEMBL3696475SCHEMBL29778244GTPL10382
Data from PubChem (NCBI)
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