COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL331678
Chemical Name: 3-[dimethyl(4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}but-2-yn-1-yl)ammonio]propane-1-sulfonate
Smiles: C[N+](CC#CCOC/C=C/c1ccccc1)(CCCS(=O)(=O)[O-])C

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Molecular Weight: 351.47
Empirical Formula: C18H25NO4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -2.42
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 74
Number of rings: 1

     

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