COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011844
Chemical Name: ethyl(5Z)-5-(3-chlorobenzylidene)-2-[(4-chlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C\c2cccc(c2)Cl)/C1=O

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Molecular Weight: 420.32
Empirical Formula: C20H15Cl2NO3S

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 6.415
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 3

     

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