COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158477
Chemical Name: methyl(5E)-4-oxo-2-(phenylamino)-5-[4-(trifluoromethyl)benzylidene]-4,5-dihydrothiophene-3-carboxylate
Smiles: COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(cc2)C(F)(F)F)/C1=O

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Molecular Weight: 405.4
Empirical Formula: C20H14F3NO3S

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 5.246
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 3

     

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