COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374691
Chemical Name: ethyl(5Z)-2-[(4-ethylphenyl)amino]-5-{4-[(4-methylbenzyl)oxy]benzylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)CC)S/C(=C\c2ccc(cc2)OCc2ccc(cc2)C)/C1=O

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Molecular Weight: 499.63
Empirical Formula: C30H29NO4S

Physical State: Dry powder
Available Amount: 570 mg

Lipinsky:
logP: 7.872
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 89
Number of rings: 4

     

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