COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320332
Chemical Name: methyl3-(6-{[(4-bromophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-4-methylpentanoate
Smiles: COC(=O)CC(c1oc(CSc2ccc(cc2)Br)cc(=O)c1O)C(C)C

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Molecular Weight: 441.34
Empirical Formula: C19H21BrO5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.18
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 98
Number of rings: 2

     

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