COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396371
Chemical Name: 3-[(2Z)-5-methyl-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)C

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Saltdata: Na+
Molecular Weight: 356.51
Empirical Formula: C15H18NO3S3

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 0.926
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 126
Number of rings: 2

     

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