COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567290
Chemical Name: ethyl2-({(E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C(/c2scc(n2)c2cc3cc(Br)ccc3oc2=O)\C#N)sc2c1CCCC2

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Molecular Weight: 582.5
Empirical Formula: C26H20BrN3O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.167
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 157
Number of rings: 5

     

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