COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158375
Chemical Name: ethyl(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2ccc(c(c2)OC)O)/C1=O

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Molecular Weight: 411.48
Empirical Formula: C22H21NO5S

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 4.508
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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