COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158427
Chemical Name: ethyl(5E)-2-[(4-chlorophenyl)amino]-5-(3-hydroxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C/c2cccc(c2)O)/C1=O

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Molecular Weight: 401.87
Empirical Formula: C20H16ClNO4S

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 5.224
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 100
Number of rings: 3

     

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