COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK785760
Chemical Name: methyl5-[2-(1,3-benzodioxol-5-yl)-1-hydroxy-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate
Smiles: COC(=O)c1c(C)sc(c1O)C(C(=O)c1ccc2c(c1)OCO2)O

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Molecular Weight: 350.35
Empirical Formula: C16H14O7S

Physical State: Dry powder
Available Amount: 75 mg

Lipinsky:
logP: 1.661
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 130
Number of rings: 3

     

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