COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047261
Chemical Name: 3,4,5-trimethoxy-2-[({[(1-methyl-1H-tetrazol-4-ium-5-yl)sulfanyl]acetyl}amino)methyl]benzoate
Smiles: COc1c(CNC(=O)CSc2[nH+]nnn2C)c(cc(c1OC)OC)C(=O)[O-]

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Molecular Weight: 397.41
Empirical Formula: C15H19N5O6S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 0.695
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 167
Number of rings: 2

     

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