COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK803955
Chemical Name: 4-ethyl2-(2-methoxyethyl)5-({(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: COCCOC(=O)c1sc(c(c1C)C(=O)OCC)N/C=C(\c1scc(n1)c1cccc(c1)[N+](=O)[O-])/C#N

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Molecular Weight: 542.59
Empirical Formula: C24H22N4O7S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.395
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 212
Number of rings: 3

     

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