COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380515
Chemical Name: ethyl(5Z)-5-[3-chloro-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-4-oxo-2-[(phenylcarbonyl)amino]-4,5-dihydrothiophene-3-carboxylate
Smiles: C=CCOc1c(Cl)cc(cc1OC)/C=C/1\SC(=C(C1=O)C(=O)OCC)NC(=O)c1ccccc1

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Molecular Weight: 499.97
Empirical Formula: C25H22ClNO6S

Physical State: Dry powder
Available Amount: 588 mg

Lipinsky:
logP: 5.439
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 116
Number of rings: 3

     

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