COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK803945
Chemical Name: 4-ethyl2-prop-2-en-1-yl5-({(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: C=CCOC(=O)c1sc(c(c1C)C(=O)OCC)N/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N

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Molecular Weight: 523.59
Empirical Formula: C25H21N3O6S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.971
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 176
Number of rings: 4

     

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