Molecules/(2S,3S)-3-(4-chlorophenyl)-3-((R)-1-(4-chlorophenyl)-7-fluoro-5-((S)-1-hydroxy-1-(tetrahydro-2H-pyran-4-yl)propyl)-1-methoxy-3-oxoisoindolin-2-yl)-2-methylpropanoic acid
(2S,3S)-3-(4-chlorophenyl)-3-((R)-1-(4-chlorophenyl)-7-fluoro-5-((S)-1-hydroxy-1-(tetrahydro-2H-pyran-4-yl)propyl)-1-methoxy-3-oxoisoindolin-2-yl)-2-methylpropanoic acid
(2S,3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-1-methoxy-3-oxoisoindol-2-yl]-2-methylpropanoic acid
Molecular Identity
(2S,3S)-3-(4-chlorophenyl)-3-((R)-1-(4-chlorophenyl)-7-fluoro-5-((S)-1-hydroxy-1-(tetrahydro-2H-pyran-4-yl)propyl)-1-methoxy-3-oxoisoindolin-2-yl)-2-methylpropanoic acid
(2S,3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-1-methoxy-3-oxoisoindol-2-yl]-2-methylpropanoic acid
PubChem CID: 135281467
2D Structure
Properties
C33H34Cl2FNO6
Molecular Formula
630.50
Molecular Weight
g/mol
629.1747
Exact Mass
Da
5.8
XLogP
Above Lipinski threshold
96.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
984
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C1CCOCC1)(C2=CC3=C(C(=C2)F)C(N(C3=O)C(C4=CC=C(C=C4)Cl)C(C)C(=O)O)(C5=CC=C(C=C5)Cl)OC)OIsomeric SMILES
SMILES: CC[C@](C1CCOCC1)(C2=CC3=C(C(=C2)F)[C@@](N(C3=O)[C@H](C4=CC=C(C=C4)Cl)[C@H](C)C(=O)O)(C5=CC=C(C=C5)Cl)OC)OSynonyms(14)
ASTX2952093449-12-6(2S,3S)-3-(4-chlorophenyl)-3-((R)-1-(4-chlorophenyl)-7-fluoro-5-((S)-1-hydroxy-1-(tetrahydro-2H-pyran-4-yl)propyl)-1-methoxy-3-oxoisoindolin-2-yl)-2-methylpropanoic acidorb3028450CHEMBL5916606SCHEMBL20446158GTPL14542YQF2826BDBM427183EX-A12750US10544132, Example 124example 124 [US11236047]H84712T206682
Data from PubChem (NCBI)
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Molecular Structure
(2S,3S)-3-(4-chlorophenyl)-3-((R)-1-(4-chlorophenyl)-7-fluoro-5-((S)-1-hydroxy-1-(tetrahydro-2H-pyran-4-yl)propyl)-1-methoxy-3-oxoisoindolin-2-yl)-2-methylpropanoic acid
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Drug Network
Trials and conditions connected to (2S,3S)-3-(4-chlorophenyl)-3-((R)-1-(4-chlorophenyl)-7-fluoro-5-((S)-1-hydroxy-1-(tetrahydro-2H-pyran-4-yl)propyl)-1-methoxy-3-oxoisoindolin-2-yl)-2-methylpropanoic acid
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