COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044125
Chemical Name: 3-[(Z)-{2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenolate
Smiles: OCC[NH+]1CCN(CC1)C1=NC(=O)/C(=C/c2cccc(c2)[O-])/S1

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Molecular Weight: 333.41
Empirical Formula: C16H19N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.985
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 105
Number of rings: 3

     

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