COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473555
Chemical Name: ethyl2-({(2E)-2-cyano-3-[3-ethoxy-4-(propanoyloxy)phenyl]prop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: CCOC(=O)c1ccsc1NC(=O)/C(=C/c1ccc(c(c1)OCC)OC(=O)CC)/C#N

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Molecular Weight: 442.49
Empirical Formula: C22H22N2O6S

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: 5.711
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 142
Number of rings: 2

     

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