COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038684
Chemical Name: 4-[(Z)-{3-[4-(diethylammonio)phenyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)[NH+](CC)CC

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Molecular Weight: 414.55
Empirical Formula: C21H22N2O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.857
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 114
Number of rings: 3

     

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