COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539885
Chemical Name: methyl3-(3-hydroxy-6-{[(3-methoxyphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-5-methylhexanoate
Smiles: COC(=O)CC(c1oc(CSc2cccc(c2)OC)cc(=O)c1O)CC(C)C

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Molecular Weight: 406.5
Empirical Formula: C21H26O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.692
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 107
Number of rings: 2

     

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