COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374726
Chemical Name: ethyl(5Z)-5-[4-(diethylamino)-2-methoxybenzylidene]-2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)OCC)S/C(=C\c2ccc(cc2OC)N(CC)CC)/C1=O

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Molecular Weight: 496.63
Empirical Formula: C27H32N2O5S

Physical State: Dry powder
Available Amount: 555 mg

Lipinsky:
logP: 6.859
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 3

     

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