COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158497
Chemical Name: methyl(5Z)-2-[(4-fluorophenyl)amino]-5-[4-(methylsulfanyl)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: COC(=O)C1=C(Nc2ccc(cc2)F)S/C(=C\c2ccc(cc2)SC)/C1=O

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Molecular Weight: 401.48
Empirical Formula: C20H16FNO3S2

Physical State: Dry powder
Available Amount: 217 mg

Lipinsky:
logP: 5.221
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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