COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL314794
Chemical Name: methyl3-{3-hydroxy-4-oxo-6-[(phenylsulfanyl)methyl]-4H-pyran-2-yl}-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]propanoate
Smiles: COC(=O)CC(c1ccnn1C(C)C)c1oc(CSc2ccccc2)cc(=O)c1O

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Molecular Weight: 428.51
Empirical Formula: C22H24N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.564
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 3

     

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