COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK803927
Chemical Name: 2-tert-butyl4-ethyl5-({(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)F)/C#N)sc(c1C)C(=O)OC(C)(C)C

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Molecular Weight: 513.61
Empirical Formula: C25H24FN3O4S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 8.443
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 157
Number of rings: 3

     

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