COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL371540
Chemical Name: ethyl(5Z)-5-(3,5-dichloro-4-hydroxybenzylidene)-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\c2cc(Cl)c(c(c2)Cl)O)/C1=O)NC(=O)c1ccc(cc1)C

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Molecular Weight: 478.35
Empirical Formula: C22H17Cl2NO5S

Physical State: Dry powder
Available Amount: 738 mg

Lipinsky:
logP: 5.089
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 118
Number of rings: 3

     

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