COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK005518
Chemical Name: ethyl(5Z)-5-(2-chlorobenzylidene)-2-[(3,4-dichlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)S/C(=C\c2ccccc2Cl)/C1=O

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Molecular Weight: 454.76
Empirical Formula: C20H14Cl3NO3S

Physical State: Dry powder
Available Amount: 285 mg

Lipinsky:
logP: 7.093
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 3

     

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