COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK379488
Chemical Name: 3-ethyl-5-methoxy-2-[(1Z)-2-(methylsulfanyl)but-1-en-1-yl]-1,3-benzothiazol-3-ium
Smiles: CC/C(=C/c1sc2c([n+]1CC)cc(cc2)OC)/SC

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Saltdata: CH3SO3-
Molecular Weight: 294.46
Empirical Formula: C15H20NOS2

Physical State: Dry powder
Available Amount: 3164 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 66
Number of rings: 2

     

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