COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK803980
Chemical Name: ethyl2-({(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc3c(c2)OCO3)/C#N)sc(c1C)C

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Molecular Weight: 453.54
Empirical Formula: C22H19N3O4S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.076
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 149
Number of rings: 4

     

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