COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374748
Chemical Name: ethyl(5Z)-5-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2ccc(c(c2)OCC)OCC#C)/C1=O

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Molecular Weight: 479.55
Empirical Formula: C26H25NO6S

Physical State: Dry powder
Available Amount: 460 mg

Lipinsky:
logP: 5.165
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 108
Number of rings: 3

     

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