COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL369474
Chemical Name: ethyl(5Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(NC(=O)c2ccc(cc2)C(C)(C)C)S/C(=C\c2ccc(cc2)CC)/C1=O

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Molecular Weight: 463.6
Empirical Formula: C27H29NO4S

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 6.7
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 97
Number of rings: 3

     

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