COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158412
Chemical Name: ethyl(5E)-5-(3-hydroxy-4-methoxybenzylidene)-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)O)OC)/C1=O

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Molecular Weight: 427.48
Empirical Formula: C22H21NO6S

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 3.918
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 119
Number of rings: 3

     

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