COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL245750
Chemical Name: ethyl3-(7-chloro-1,3-benzodioxol-5-yl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate
Smiles: CCOC(=O)CC(c1oc(CO)cc(=O)c1O)c1cc(Cl)c2c(c1)OCO2

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Molecular Weight: 396.78
Empirical Formula: C18H17ClO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.224
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 111
Number of rings: 3

     

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