COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158370
Chemical Name: ethyl(5Z)-5-(3-hydroxybenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2cccc(c2)O)/C1=O

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Molecular Weight: 412.42
Empirical Formula: C20H16N2O6S

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 4.692
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 146
Number of rings: 3

     

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