COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL114456
Chemical Name: dimethyl2-{[N-(1,3-benzodioxol-5-yl)-N-(methylsulfonyl)glycyl]amino}benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)CN(S(=O)(=O)C)c1ccc2c(c1)OCO2)C(=O)OC

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Molecular Weight: 464.45
Empirical Formula: C20H20N2O9S

Physical State: Dry powder
Available Amount: 69 mg

Lipinsky:
logP: 3.288
Rotatable bonds: 6
H-donors: 1
H-acceptors: 9
PSA: 145
Number of rings: 3

     

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