COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL438707
Chemical Name: ethyl(5Z)-4-oxo-2-(phenylamino)-5-[4-(trifluoromethyl)benzylidene]-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(cc2)C(F)(F)F)/C1=O

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Molecular Weight: 419.42
Empirical Formula: C21H16F3NO3S

Physical State: Dry powder
Available Amount: 291 mg

Lipinsky:
logP: 5.777
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 3

     

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