COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK050388
Chemical Name: ethyl(5E)-2-[(4-chlorophenyl)amino]-5-(4-ethoxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C/c2ccc(cc2)OCC)/C1=O

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Molecular Weight: 429.92
Empirical Formula: C22H20ClNO4S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 6.287
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 89
Number of rings: 3

     

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