COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374696
Chemical Name: ethyl(5Z)-5-[4-(diethylamino)-2-ethoxybenzylidene]-2-[(4-ethylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)CC)S/C(=C\c2ccc(cc2OCC)N(CC)CC)/C1=O

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Molecular Weight: 494.66
Empirical Formula: C28H34N2O4S

Physical State: Dry powder
Available Amount: 470 mg

Lipinsky:
logP: 7.901
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 93
Number of rings: 3

     

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