COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374687
Chemical Name: ethyl(5Z)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-[(4-ethylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)CC)S/C(=C\c2cc(n(c2C)c2ccccc2)C)/C1=O

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Molecular Weight: 472.61
Empirical Formula: C28H28N2O3S

Physical State: Dry powder
Available Amount: 786 mg

Lipinsky:
logP: 7.593
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 85
Number of rings: 4

     

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