COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK529542
Chemical Name: 4-({3-[(2-cyanoethyl)(dimethyl)ammonio]propanoyl}amino)-4-methyltetrahydrothiophene-3-sulfonate1,1-dioxide
Smiles: N#CCC[N+](CCC(=O)NC1(C)CS(=O)(=O)CC1S(=O)(=O)[O-])(C)C

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Molecular Weight: 381.47
Empirical Formula: C13H23N3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -8.117
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 160
Number of rings: 1

     

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