COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380509
Chemical Name: ethyl(5Z)-5-{3-bromo-4-[(4-fluorobenzyl)oxy]benzylidene}-4-oxo-2-[(phenylcarbonyl)amino]-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\c2ccc(c(c2)Br)OCc2ccc(cc2)F)/C1=O)NC(=O)c1ccccc1

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Molecular Weight: 582.45
Empirical Formula: C28H21BrFNO5S

Physical State: Dry powder
Available Amount: 744 mg

Lipinsky:
logP: 6.305
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 4

     

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