COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374725
Chemical Name: ethyl(5Z)-2-[(4-ethoxyphenyl)amino]-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)OCC)S/C(=C\c2ccc(c(c2)OC)OCC#C)/C1=O

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Molecular Weight: 479.55
Empirical Formula: C26H25NO6S

Physical State: Dry powder
Available Amount: 700 mg

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

     

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