COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374708
Chemical Name: ethyl(5Z)-5-[(1-benzyl-1H-indol-3-yl)methylidene]-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2cn(c3c2cccc3)Cc2ccccc2)/C1=O

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Molecular Weight: 494.61
Empirical Formula: C30H26N2O3S

Physical State: Dry powder
Available Amount: 252 mg

Lipinsky:
logP: 7.308
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 85
Number of rings: 5

     

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