COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380527
Chemical Name: ethyl(5Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-{3-chloro-4-[(3-fluorobenzyl)oxy]-5-methoxybenzylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C(C)(C)C)S/C(=C\c2cc(Cl)c(c(c2)OC)OCc2cccc(c2)F)/C1=O

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Molecular Weight: 624.13
Empirical Formula: C33H31ClFNO6S

Physical State: Dry powder
Available Amount: 1382 mg

Lipinsky:
logP: 8.029
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 116
Number of rings: 4

     

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