COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK608790
Chemical Name: 4-ethyl2-(2-methoxyethyl)5-({(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: COCCOC(=O)c1sc(c(c1C)C(=O)OCC)N/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N

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Molecular Weight: 541.61
Empirical Formula: C25H23N3O7S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.727
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 185
Number of rings: 4

     

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