COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473558
Chemical Name: ethyl2-({(2E)-3-[4-(acetyloxy)-3-ethoxyphenyl]-2-cyanoprop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: CCOc1cc(ccc1OC(=O)C)/C=C(/C(=O)Nc1sccc1C(=O)OCC)\C#N

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Molecular Weight: 428.47
Empirical Formula: C21H20N2O6S

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 5.179
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 142
Number of rings: 2

     

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