COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK049450
Chemical Name: ethyl(5E)-5-benzylidene-2-[(3-chlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2cccc(c2)Cl)S/C(=C/c2ccccc2)/C1=O

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Molecular Weight: 385.87
Empirical Formula: C20H16ClNO3S

Physical State: Dry powder
Available Amount: 415 mg

Lipinsky:
logP: 5.85
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 3

     

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