COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380526
Chemical Name: ethyl(5Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-[3,5-dibromo-4-(prop-2-en-1-yloxy)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: C=CCOc1c(Br)cc(cc1Br)/C=C/1\SC(=C(C1=O)C(=O)OCC)NC(=O)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 649.4
Empirical Formula: C28H27Br2NO5S

Physical State: Dry powder
Available Amount: 1230 mg

Lipinsky:
logP: 7.678
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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