COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK326395
Chemical Name: 3-{5-methyl-2-[(1Z)-2-(methylsulfanyl)but-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Smiles: CC/C(=C/c1sc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)C)/SC

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Molecular Weight: 371.55
Empirical Formula: C16H21NO3S3

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 123
Number of rings: 2

     

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