COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396380
Chemical Name: 3-{2-[(1E)-2-(methylsulfanyl)prop-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Smiles: CS/C(=C/c1sc2c([n+]1CCCS(=O)(=O)[O-])cccc2)/C

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Molecular Weight: 343.49
Empirical Formula: C14H17NO3S3

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 123
Number of rings: 2

     

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