COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK387689
Chemical Name: ethyl(5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)/C1=O

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Molecular Weight: 493.67
Empirical Formula: C29H35NO4S

Physical State: Dry powder
Available Amount: 201 mg

Lipinsky:
logP: 8.12
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 100
Number of rings: 3

     

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