COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK068303
Chemical Name: ethyl(5Z)-5-[4-(acetyloxy)-3-methoxybenzylidene]-2-[(4-chlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C\c2ccc(c(c2)OC)OC(=O)C)/C1=O

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Molecular Weight: 473.93
Empirical Formula: C23H20ClNO6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.132
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 116
Number of rings: 3

     

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