COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378286
Chemical Name: ethyl(5Z)-5-{4-[(2-cyanobenzyl)oxy]-3-ethoxy-5-iodobenzylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(I)c(c(c2)OCC)OCc2ccccc2C#N)/C1=O

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Molecular Weight: 652.51
Empirical Formula: C30H25IN2O5S

Physical State: Dry powder
Available Amount: 372 mg

Lipinsky:
logP: 7.196
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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