COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374713
Chemical Name: ethyl(5Z)-5-{2-[(2-cyanobenzyl)oxy]benzylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2ccccc2OCc2ccccc2C#N)/C1=O

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Molecular Weight: 496.59
Empirical Formula: C29H24N2O4S

Physical State: Dry powder
Available Amount: 891 mg

Lipinsky:
logP: 6.377
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 4

     

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