COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378287
Chemical Name: ethyl(5Z)-5-{4-[(4-chlorobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)benzylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(OCC)c(c(c2)CC=C)OCc2ccc(cc2)Cl)/C1=O

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Molecular Weight: 576.11
Empirical Formula: C32H30ClNO5S

Physical State: Dry powder
Available Amount: 334 mg

Lipinsky:
logP: 8.446
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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