COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057710
Chemical Name: ethyl(5Z)-2-[(3,4-dichlorophenyl)amino]-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)S/C(=C\c2ccc(c(c2)OC)O)/C1=O

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Molecular Weight: 466.34
Empirical Formula: C21H17Cl2NO5S

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 5.943
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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