example S131 [WO2024006881]
(3S)-3-[6-[(3S)-1-[[8-fluoro-2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular Identity
example S131 [WO2024006881]
(3S)-3-[6-[(3S)-1-[[8-fluoro-2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID: 170708061
2D Structure
Properties
C32H33FN4O5
Molecular Formula
572.60
Molecular Weight
g/mol
572.2435
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)OC4CCN(C4)CC5=CC(=C6C(=C5)C=CC(=N6)C7CCOCC7)FIsomeric SMILES
SMILES: C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC(=C3)O[C@H]4CCN(C4)CC5=CC(=C6C(=C5)C=CC(=N6)C7CCOCC7)FSynonyms(14)
BMS-9864633025467-07-3orb3134911SCHEMBL27108902SCHEMBL30718518GTPL14190YQF2570BMS986463EX-A13992AT50344example S131 [WO2024006881]T210494(3S)-3-[6-[(3S)-1-[[8-fluoro-2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione(S)-3-(5-(((S)-1-((8-fluoro-2-(tetrahydro-2H-pyran-4-yl)quinolin-6-yl)methyl)pyrrolidin-3-yl)oxy)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to example S131 [WO2024006881]
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