COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL298339
Chemical Name: sodium4-{[N-(2-hydroxyethyl)-N-methyl-beta-alanyl]amino}-4-methyltetrahydrothiophene-3-sulfonate1,1-dioxide
Smiles: OCCN(CCC(=O)NC1(C)CS(=O)(=O)CC1S(=O)(=O)[O-])C.[Na+]

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Molecular Weight: 380.42
Empirical Formula: C11H21N2NaO7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 160
Number of rings: 1

     

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