COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539300
Chemical Name: 4-(1-{3-hydroxy-4-oxo-6-[(phenylsulfanyl)methyl]-4H-pyran-2-yl}-3-methoxy-3-oxopropyl)benzoicacid
Smiles: COC(=O)CC(c1oc(CSc2ccccc2)cc(=O)c1O)c1ccc(cc1)C(=O)O

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Molecular Weight: 440.47
Empirical Formula: C23H20O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.413
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 135
Number of rings: 3

     

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