COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK435108
Chemical Name: methyl2-({(2E)-3-[4-(acetyloxy)-3-ethoxyphenyl]-2-cyanoprop-2-enoyl}amino)-5-carbamoyl-4-methylthiophene-3-carboxylate
Smiles: CCOc1cc(ccc1OC(=O)C)/C=C(/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N)\C#N

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Molecular Weight: 471.49
Empirical Formula: C22H21N3O7S

Physical State: Dry powder
Available Amount: 767 mg

Lipinsky:
logP: 4.355
Rotatable bonds: 9
H-donors: 3
H-acceptors: 7
PSA: 186
Number of rings: 2

     

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