COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL434582
Chemical Name: methyl3-(3-bromo-4,5-dimethoxyphenyl)-3-(6-{[(4-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)propanoate
Smiles: COC(=O)CC(c1oc(CSc2ccc(cc2)F)cc(=O)c1O)c1cc(Br)c(c(c1)OC)OC

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Molecular Weight: 553.4
Empirical Formula: C24H22BrFO7S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.011
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 116
Number of rings: 3

     

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