COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396426
Chemical Name: 3-{2-[(1E)-2-ethoxyprop-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Smiles: CCO/C(=C/c1sc2c([n+]1CCCS(=O)(=O)[O-])cccc2)/C

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Molecular Weight: 341.45
Empirical Formula: C15H19NO4S2

Physical State: Dry powder
Available Amount: 440 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 106
Number of rings: 2

     

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