COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396246
Chemical Name: 3-[(2Z)-5-methoxy-2-(2-thioxobutylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate
Smiles: CCC(=S)/C=c/1\sc2c(n1CCCS(=O)(=O)[O-])cc(cc2)OC

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Saltdata: Na+
Molecular Weight: 372.51
Empirical Formula: C15H18NO4S3

Physical State: Dry powder
Available Amount: 324 mg

Lipinsky:
logP: 0.381
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 135
Number of rings: 2

     

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