COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK044863
Chemical Name: ethyl(5E)-5-[3-(benzyloxy)benzylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cccc(c2)OCc2ccccc2)/C1=O

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Molecular Weight: 457.55
Empirical Formula: C27H23NO4S

Physical State: Dry powder
Available Amount: 454 mg

Lipinsky:
logP: 6.451
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 89
Number of rings: 4

     

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