COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378687
Chemical Name: ethyl(5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\c2cc(OC)c(cc2[N+](=O)[O-])OC)/C1=O)NC(=O)c1ccc(cc1)C

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Molecular Weight: 498.51
Empirical Formula: C24H22N2O8S

Physical State: Dry powder
Available Amount: 691 mg

Lipinsky:
logP: 4.327
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 162
Number of rings: 3

     

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