COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396375
Chemical Name: 3-{5-methoxy-2-[(1E)-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)OC)/SC

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Saltdata: H2O
Molecular Weight: 387.55
Empirical Formula: C16H21NO4S3

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 0
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 2

     

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