COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700977
Chemical Name: sodium4-[(N,N-dimethyl-beta-alanyl)amino]-4-methyltetrahydrothiophene-3-sulfonate1,1-dioxide
Smiles: CN(CCC(=O)NC1(C)CS(=O)(=O)CC1S(=O)(=O)[O-])C.[Na+]

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Molecular Weight: 350.39
Empirical Formula: C10H19N2NaO6S2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 140
Number of rings: 1

     

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