COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840970
Chemical Name: 3-{[4-(2-cyanoethoxy)but-2-yn-1-yl](dimethyl)ammonio}propane-1-sulfonate
Smiles: N#CCCOCC#CC[N+](CCCS(=O)(=O)[O-])(C)C

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Molecular Weight: 288.37
Empirical Formula: C12H20N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -5.212
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 98
Number of rings: 0

     

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