COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK330312
Chemical Name: 3-(2-hydroxyethyl)-2,5,6-trimethyl-1,3-benzothiazol-3-ium4-methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)[O-].OCC[n+]1c(C)sc2c1cc(C)c(c2)C

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Molecular Weight: 393.53
Empirical Formula: C19H23NO4S2

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 117
Number of rings: 3

     

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