COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567168
Chemical Name: 4-ethyl2-methyl5-({(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)[N+](=O)[O-])/C#N)sc(c1C)C(=O)OC

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Molecular Weight: 498.54
Empirical Formula: C22H18N4O6S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.898
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 203
Number of rings: 3

     

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