COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396424
Chemical Name: 3-{2-[(E)-2-(phenylamino)ethenyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Smiles: [O-]S(=O)(=O)CCC[n+]1c(/C=C/Nc2ccccc2)sc2c1cccc2

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Molecular Weight: 374.48
Empirical Formula: C18H18N2O3S2

Physical State: Dry powder
Available Amount: 214 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 109
Number of rings: 3

     

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