COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080172
Chemical Name: 3-[(2Z)-5-methoxy-2-(2-thioxobutylidene)thieno[2,3-e][1,3]benzothiazol-1(2H)-yl]propane-1-sulfonate
Smiles: CCC(=S)/C=c/1\sc2c(n1CCCS(=O)(=O)[O-])c1sccc1c(c2)OC

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Saltdata: Na+
Molecular Weight: 428.6
Empirical Formula: C17H18NO4S4

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 2.543
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 163
Number of rings: 3

     

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