COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK079667
Chemical Name: ethyl(5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(OC)c(c(c2)OC)O)/C1=O

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Molecular Weight: 427.48
Empirical Formula: C22H21NO6S

Physical State: Dry powder
Available Amount: 390 mg

Lipinsky:
logP: 3.693
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 119
Number of rings: 3

     

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