COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK803977
Chemical Name: ethyl2-({(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)[N+](=O)[O-])/C#N)sc(c1C)C

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Molecular Weight: 454.53
Empirical Formula: C21H18N4O4S2

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 6.83
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 177
Number of rings: 3

     

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